16
HEAT OF FORMATION =    -57.458 KCAL =   -240.564 KJ; FOR REACTION COORDINATE =      4.12 DEG
C      0.000      0.000      0.000
Cl      1.809      0.000      0.000
C    -0.4903      1.423      0.000
C    -0.4806    -0.6939     -1.271
C    -0.4301     -2.192     -1.113
H    -0.2912    -0.5463     0.9274
H     -1.605      1.406     0.1613
H   -0.01989      2.011     0.8247
H    -0.2531      1.930    -0.9644
H     -1.476    -0.3037     -1.602
H     0.2741    -0.4344     -2.070
H     -1.202     -2.530    -0.3789
H    -0.6298     -2.691     -2.091
H     0.5727     -2.516    -0.7426
O     -4.117 -2.526e-16  4.363e-16
H     -5.050    0.05046    -0.1251
16
HEAT OF FORMATION =    -57.691 KCAL =   -241.540 KJ; FOR REACTION COORDINATE =      4.07 DEG
C      0.000      0.000      0.000
Cl      1.809      0.000      0.000
C    -0.4931      1.422      0.000
C    -0.4809    -0.6939     -1.271
C    -0.4290     -2.192     -1.114
H    -0.2889    -0.5466     0.9279
H     -1.608      1.400     0.1615
H   -0.02431      2.012     0.8244
H    -0.2574      1.930    -0.9640
H     -1.477    -0.3034     -1.601
H     0.2737    -0.4337     -2.070
H     -1.201     -2.531    -0.3798
H    -0.6279     -2.691     -2.092
H     0.5741     -2.515    -0.7432
O     -4.067 -2.495e-16  4.310e-16
H     -4.986    0.07848    -0.1946
16
HEAT OF FORMATION =    -57.938 KCAL =   -242.576 KJ; FOR REACTION COORDINATE =      4.02 DEG
C      0.000      0.000      0.000
Cl      1.810      0.000      0.000
C    -0.4962      1.420      0.000
C    -0.4815    -0.6938     -1.270
C    -0.4278     -2.192     -1.114
H    -0.2890    -0.5466     0.9279
H     -1.612      1.394     0.1617
H   -0.02863      2.011     0.8245
H    -0.2615      1.930    -0.9641
H     -1.478    -0.3035     -1.600
H     0.2730    -0.4328     -2.069
H     -1.200     -2.532    -0.3802
H    -0.6261     -2.691     -2.093
H     0.5755     -2.514    -0.7433
O     -4.017 -2.464e-16  4.257e-16
H     -4.922    0.09897    -0.2455
16
HEAT OF FORMATION =    -58.200 KCAL =   -243.674 KJ; FOR REACTION COORDINATE =      3.97 DEG
C      0.000      0.000      0.000
Cl      1.810      0.000      0.000
C    -0.5023      1.418      0.000
C    -0.4800    -0.6942     -1.271
C    -0.4223     -2.192     -1.116
H    -0.2876    -0.5468     0.9282
H     -1.618      1.384     0.1619
H   -0.03725      2.011     0.8245
H    -0.2699      1.928    -0.9641
H     -1.477    -0.3051     -1.601
H     0.2746    -0.4307     -2.069
H     -1.194     -2.534    -0.3831
H    -0.6179     -2.691     -2.095
H     0.5815     -2.512    -0.7441
O     -3.967 -2.434e-16  4.204e-16
H     -4.846     0.1268    -0.3146
16
HEAT OF FORMATION =    -58.479 KCAL =   -244.840 KJ; FOR REACTION COORDINATE =      3.92 DEG
C      0.000      0.000      0.000
Cl      1.810      0.000      0.000
C    -0.5073      1.416      0.000
C    -0.4797    -0.6943     -1.271
C    -0.4189     -2.192     -1.116
H    -0.2863    -0.5470     0.9285
H     -1.624      1.374     0.1622
H   -0.04530      2.012     0.8239
H    -0.2776      1.928    -0.9633
H     -1.477    -0.3060     -1.601
H     0.2749    -0.4298     -2.069
H     -1.191     -2.536    -0.3842
H    -0.6128     -2.692     -2.096
H     0.5852     -2.510    -0.7440
O     -3.917 -2.403e-16  4.151e-16
H     -4.762     0.1563    -0.3876
16
HEAT OF FORMATION =    -58.776 KCAL =   -246.082 KJ; FOR REACTION COORDINATE =      3.87 DEG
C      0.000      0.000      0.000
Cl      1.811      0.000      0.000
C    -0.5120      1.414      0.000
C    -0.4803    -0.6942     -1.271
C    -0.4169     -2.192     -1.118
H    -0.2859    -0.5471     0.9287
H     -1.630      1.365     0.1626
H   -0.05205      2.011     0.8239
H    -0.2841      1.927    -0.9632
H     -1.478    -0.3063     -1.600
H     0.2741    -0.4285     -2.069
H     -1.188     -2.538    -0.3863
H    -0.6096     -2.691     -2.098
H     0.5876     -2.509    -0.7456
O     -3.867 -2.372e-16  4.098e-16
H     -4.675     0.1813    -0.4495
16
HEAT OF FORMATION =    -59.092 KCAL =   -247.405 KJ; FOR REACTION COORDINATE =      3.82 DEG
C      0.000      0.000      0.000
Cl      1.811      0.000      0.000
C    -0.5174      1.411      0.000
C    -0.4793    -0.6945     -1.272
C    -0.4123     -2.192     -1.119
H    -0.2845    -0.5473     0.9290
H     -1.636      1.356     0.1628
H   -0.06026      2.011     0.8236
H    -0.2920      1.927    -0.9628
H     -1.478    -0.3072     -1.600
H     0.2751    -0.4269     -2.069
H     -1.184     -2.540    -0.3881
H    -0.6029     -2.691     -2.099
H     0.5926     -2.507    -0.7458
O     -3.817 -2.342e-16  4.045e-16
H     -4.567     0.2137    -0.5299
16
HEAT OF FORMATION =    -59.429 KCAL =   -248.818 KJ; FOR REACTION COORDINATE =      3.77 DEG
C      0.000      0.000      0.000
Cl      1.812      0.000      0.000
C    -0.5248      1.408      0.000
C    -0.4783    -0.6948     -1.272
C    -0.4066     -2.192     -1.121
H    -0.2835    -0.5474     0.9292
H     -1.644      1.342     0.1633
H   -0.07116      2.011     0.8234
H    -0.3025      1.925    -0.9625
H     -1.478    -0.3089     -1.600
H     0.2761    -0.4247     -2.069
H     -1.178     -2.543    -0.3911
H    -0.5944     -2.691     -2.102
H     0.5989     -2.504    -0.7468
O     -3.767 -2.311e-16  3.992e-16
H     -4.456     0.2407    -0.5970
16
HEAT OF FORMATION =    -59.791 KCAL =   -250.334 KJ; FOR REACTION COORDINATE =      3.72 DEG
C      0.000      0.000      0.000
Cl      1.811      0.000      0.000
C    -0.5373      1.403      0.000
C    -0.4751    -0.6956     -1.274
C    -0.3949     -2.193     -1.124
H    -0.2815    -0.5477     0.9298
H     -1.658      1.320     0.1638
H   -0.08968      2.010     0.8230
H    -0.3203      1.923    -0.9619
H     -1.475    -0.3129     -1.603
H     0.2797    -0.4210     -2.069
H     -1.166     -2.549    -0.3970
H    -0.5772     -2.691     -2.106
H     0.6115     -2.499    -0.7481
O     -3.717 -2.280e-16  3.939e-16
H     -4.329     0.2682    -0.6652
16
HEAT OF FORMATION =    -60.180 KCAL =   -251.962 KJ; FOR REACTION COORDINATE =      3.67 DEG
C      0.000      0.000      0.000
Cl      1.811      0.000      0.000
C    -0.5466      1.399      0.000
C    -0.4734    -0.6960     -1.274
C    -0.3870     -2.193     -1.127
H    -0.2794    -0.5480     0.9302
H     -1.668      1.302     0.1644
H    -0.1039      2.010     0.8226
H    -0.3339      1.921    -0.9613
H     -1.475    -0.3155     -1.603
H     0.2815    -0.4180     -2.068
H     -1.158     -2.553    -0.4014
H    -0.5655     -2.692     -2.110
H     0.6200     -2.496    -0.7496
O     -3.667 -2.250e-16  3.886e-16
H     -4.213     0.2873    -0.7125
16
HEAT OF FORMATION =    -60.595 KCAL =   -253.699 KJ; FOR REACTION COORDINATE =      3.62 DEG
C      0.000      0.000      0.000
Cl      1.812      0.000      0.000
C    -0.5608      1.393      0.000
C    -0.4692    -0.6970     -1.276
C    -0.3728     -2.194     -1.131
H    -0.2770    -0.5484     0.9308
H     -1.684      1.277     0.1651
H    -0.1249      2.009     0.8222
H    -0.3541      1.918    -0.9607
H     -1.472    -0.3209     -1.606
H     0.2861    -0.4136     -2.068
H     -1.143     -2.561    -0.4087
H    -0.5449     -2.692     -2.115
H     0.6351     -2.490    -0.7514
O     -3.617 -2.219e-16  3.833e-16
H     -4.106     0.3014    -0.7475
16
HEAT OF FORMATION =    -61.033 KCAL =   -255.535 KJ; FOR REACTION COORDINATE =      3.57 DEG
C      0.000      0.000      0.000
Cl      1.812      0.000      0.000
C    -0.5694      1.388      0.000
C    -0.4669    -0.6976     -1.277
C    -0.3642     -2.194     -1.134
H    -0.2752    -0.5486     0.9313
H     -1.693      1.259     0.1658
H    -0.1382      2.008     0.8218
H    -0.3666      1.916    -0.9602
H     -1.470    -0.3238     -1.607
H     0.2886    -0.4108     -2.068
H     -1.134     -2.565    -0.4134
H    -0.5325     -2.692     -2.119
H     0.6442     -2.487    -0.7531
O     -3.567 -2.188e-16  3.780e-16
H     -4.032     0.3067    -0.7607
16
HEAT OF FORMATION =    -61.488 KCAL =   -257.437 KJ; FOR REACTION COORDINATE =      3.52 DEG
C      0.000      0.000      0.000
Cl      1.813      0.000      0.000
C    -0.5813      1.383      0.000
C    -0.4634    -0.6985     -1.279
C    -0.3524     -2.195     -1.138
H    -0.2730    -0.5489     0.9318
H     -1.706      1.237     0.1665
H    -0.1566      2.008     0.8211
H    -0.3840      1.913    -0.9594
H     -1.468    -0.3278     -1.609
H     0.2924    -0.4070     -2.068
H     -1.122     -2.571    -0.4200
H    -0.5153     -2.691     -2.125
H     0.6567     -2.482    -0.7552
O     -3.517 -2.157e-16  3.727e-16
H     -3.956     0.3119    -0.7736
16
HEAT OF FORMATION =    -61.949 KCAL =   -259.367 KJ; FOR REACTION COORDINATE =      3.47 DEG
C      0.000      0.000      0.000
Cl      1.814      0.000      0.000
C    -0.5870      1.380      0.000
C    -0.4596    -0.6990     -1.280
C    -0.3434     -2.195     -1.140
H    -0.2707    -0.5492     0.9322
H     -1.714      1.222     0.1672
H    -0.1655      2.007     0.8208
H    -0.3930      1.913    -0.9587
H     -1.465    -0.3307     -1.611
H     0.2964    -0.4043     -2.067
H     -1.113     -2.575    -0.4235
H    -0.5029     -2.692     -2.127
H     0.6661     -2.479    -0.7558
O     -3.467 -2.127e-16  3.674e-16
H     -3.907     0.3118    -0.7733
16
HEAT OF FORMATION =    -62.402 KCAL =   -261.264 KJ; FOR REACTION COORDINATE =      3.42 DEG
C      0.000      0.000      0.000
Cl      1.816      0.000      0.000
C    -0.5872      1.379      0.000
C    -0.4582    -0.6991     -1.280
C    -0.3410     -2.195     -1.141
H    -0.2698    -0.5492     0.9323
H     -1.716      1.217     0.1677
H    -0.1661      2.007     0.8207
H    -0.3936      1.912    -0.9584
H     -1.464    -0.3306     -1.610
H     0.2978    -0.4037     -2.067
H     -1.110     -2.575    -0.4248
H    -0.5000     -2.692     -2.128
H     0.6686     -2.479    -0.7568
O     -3.417 -2.096e-16  3.621e-16
H     -3.865     0.3102    -0.7693
16
HEAT OF FORMATION =    -62.833 KCAL =   -263.068 KJ; FOR REACTION COORDINATE =      3.37 DEG
C      0.000      0.000      0.000
Cl      1.818      0.000      0.000
C    -0.5836      1.380      0.000
C    -0.4577    -0.6990     -1.280
C    -0.3421     -2.195     -1.141
H    -0.2698    -0.5492     0.9322
H     -1.713      1.216     0.1681
H    -0.1613      2.007     0.8205
H    -0.3889      1.913    -0.9582
H     -1.463    -0.3291     -1.610
H     0.2982    -0.4043     -2.067
H     -1.112     -2.574    -0.4237
H    -0.5022     -2.692     -2.128
H     0.6674     -2.480    -0.7567
O     -3.367 -2.065e-16  3.568e-16
H     -3.823     0.3086    -0.7654
16
HEAT OF FORMATION =    -63.229 KCAL =   -264.728 KJ; FOR REACTION COORDINATE =      3.32 DEG
C      0.000      0.000      0.000
Cl      1.820      0.000      0.000
C    -0.5776      1.382      0.000
C    -0.4571    -0.6988     -1.280
C    -0.3446     -2.195     -1.140
H    -0.2705    -0.5490     0.9319
H     -1.709      1.220     0.1684
H    -0.1527      2.007     0.8204
H    -0.3807      1.915    -0.9581
H     -1.462    -0.3267     -1.609
H     0.2987    -0.4053     -2.068
H     -1.114     -2.572    -0.4220
H    -0.5066     -2.692     -2.126
H     0.6646     -2.482    -0.7567
O     -3.317 -2.035e-16  3.515e-16
H     -3.791     0.3048    -0.7558
16
HEAT OF FORMATION =    -63.581 KCAL =   -266.201 KJ; FOR REACTION COORDINATE =      3.27 DEG
C      0.000      0.000      0.000
Cl      1.822      0.000      0.000
C    -0.5686      1.385      0.000
C    -0.4574    -0.6984     -1.279
C    -0.3498     -2.195     -1.138
H    -0.2713    -0.5488     0.9316
H     -1.701      1.228     0.1686
H    -0.1399      2.008     0.8203
H    -0.3685      1.917    -0.9580
H     -1.462    -0.3232     -1.607
H     0.2983    -0.4075     -2.068
H     -1.120     -2.567    -0.4183
H    -0.5151     -2.692     -2.124
H     0.6590     -2.485    -0.7560
O     -3.267 -2.004e-16  3.462e-16
H     -3.760     0.3005    -0.7453
16
HEAT OF FORMATION =    -63.881 KCAL =   -267.459 KJ; FOR REACTION COORDINATE =      3.22 DEG
C      0.000      0.000      0.000
Cl      1.824      0.000      0.000
C    -0.5568      1.390      0.000
C    -0.4583    -0.6978     -1.278
C    -0.3577     -2.194     -1.135
H    -0.2729    -0.5485     0.9310
H     -1.690      1.242     0.1686
H    -0.1226      2.009     0.8205
H    -0.3519      1.919    -0.9582
H     -1.462    -0.3181     -1.604
H     0.2972    -0.4103     -2.068
H     -1.128     -2.562    -0.4139
H    -0.5274     -2.692     -2.120
H     0.6505     -2.489    -0.7556
O     -3.217 -1.973e-16  3.409e-16
H     -3.732     0.2952    -0.7322
16
HEAT OF FORMATION =    -64.125 KCAL =   -268.478 KJ; FOR REACTION COORDINATE =      3.17 DEG
C      0.000      0.000      0.000
Cl      1.827      0.000      0.000
C    -0.5435      1.395      0.000
C    -0.4584    -0.6972     -1.277
C    -0.3653     -2.194     -1.133
H    -0.2748    -0.5481     0.9303
H     -1.678      1.256     0.1686
H    -0.1031      2.009     0.8206
H    -0.3334      1.922    -0.9583
H     -1.462    -0.3133     -1.602
H     0.2969    -0.4132     -2.068
H     -1.137     -2.556    -0.4090
H    -0.5398     -2.692     -2.117
H     0.6421     -2.494    -0.7547
O     -3.167 -1.943e-16  3.356e-16
H     -3.715     0.2868    -0.7112
16
HEAT OF FORMATION =    -64.308 KCAL =   -269.244 KJ; FOR REACTION COORDINATE =      3.12 DEG
C      0.000      0.000      0.000
Cl      1.830      0.000      0.000
C    -0.5284      1.401      0.000
C    -0.4586    -0.6968     -1.276
C    -0.3739     -2.194     -1.129
H    -0.2769    -0.5477     0.9296
H     -1.664      1.277     0.1684
H   -0.08153      2.010     0.8206
H    -0.3126      1.925    -0.9584
H     -1.461    -0.3083     -1.601
H     0.2966    -0.4172     -2.069
H     -1.146     -2.549    -0.4030
H    -0.5535     -2.693     -2.112
H     0.6326     -2.499    -0.7529
O     -3.117 -1.912e-16  3.303e-16
H     -3.697     0.2779    -0.6893
16
HEAT OF FORMATION =    -64.427 KCAL =   -269.743 KJ; FOR REACTION COORDINATE =      3.07 DEG
C      0.000      0.000      0.000
Cl      1.832      0.000      0.000
C    -0.5126      1.407      0.000
C    -0.4603    -0.6958     -1.274
C    -0.3854     -2.193     -1.126
H    -0.2797    -0.5472     0.9288
H     -1.648      1.298     0.1681
H   -0.05807      2.011     0.8211
H    -0.2900      1.928    -0.9591
H     -1.461    -0.3011     -1.597
H     0.2947    -0.4206     -2.069
H     -1.158     -2.541    -0.3973
H    -0.5712     -2.692     -2.108
H     0.6203     -2.504    -0.7526
O     -3.067 -1.881e-16  3.250e-16
H     -3.684     0.2666    -0.6611
16
HEAT OF FORMATION =    -64.481 KCAL =   -269.970 KJ; FOR REACTION COORDINATE =      3.02 DEG
C      0.000      0.000      0.000
Cl      1.835      0.000      0.000
C    -0.4961      1.413      0.000
C    -0.4591    -0.6954     -1.273
C    -0.3928     -2.193     -1.124
H    -0.2829    -0.5466     0.9278
H     -1.631      1.320     0.1678
H   -0.03420      2.011     0.8214
H    -0.2671      1.931    -0.9594
H     -1.459    -0.2968     -1.596
H     0.2959    -0.4238     -2.069
H     -1.166     -2.535    -0.3926
H    -0.5837     -2.692     -2.104
H     0.6117     -2.510    -0.7519
O     -3.017 -1.851e-16  3.197e-16
H     -3.673     0.2531    -0.6276
16
HEAT OF FORMATION =    -64.469 KCAL =   -269.917 KJ; FOR REACTION COORDINATE =      2.97 DEG
C      0.000      0.000      0.000
Cl      1.839      0.000      0.000
C    -0.4793      1.419      0.000
C    -0.4574    -0.6951     -1.273
C    -0.3996     -2.192     -1.121
H    -0.2859    -0.5460     0.9268
H     -1.614      1.343     0.1674
H  -0.009666      2.011     0.8217
H    -0.2435      1.933    -0.9598
H     -1.457    -0.2923     -1.595
H     0.2978    -0.4276     -2.070
H     -1.174     -2.527    -0.3875
H    -0.5954     -2.692     -2.100
H     0.6037     -2.515    -0.7507
O     -2.967 -1.820e-16  3.144e-16
H     -3.665     0.2370    -0.5878
16
HEAT OF FORMATION =    -64.388 KCAL =   -269.581 KJ; FOR REACTION COORDINATE =      2.92 DEG
C      0.000      0.000      0.000
Cl      1.842      0.000      0.000
C    -0.4618      1.426      0.000
C    -0.4545    -0.6950     -1.273
C    -0.4052     -2.192     -1.119
H    -0.2886    -0.5454     0.9258
H     -1.596      1.368     0.1670
H    0.01560      2.011     0.8221
H    -0.2192      1.936    -0.9604
H     -1.453    -0.2885     -1.595
H     0.3009    -0.4308     -2.070
H     -1.180     -2.521    -0.3832
H    -0.6057     -2.692     -2.097
H     0.5968     -2.521    -0.7496
O     -2.917 -1.789e-16  3.091e-16
H     -3.659     0.2174    -0.5390
16
HEAT OF FORMATION =    -64.239 KCAL =   -268.956 KJ; FOR REACTION COORDINATE =      2.87 DEG
C      0.000      0.000      0.000
Cl      1.846      0.000      0.000
C    -0.4449      1.431      0.000
C    -0.4506    -0.6950     -1.273
C    -0.4088     -2.192     -1.116
H    -0.2916    -0.5448     0.9248
H     -1.578      1.394     0.1664
H    0.04027      2.010     0.8227
H    -0.1955      1.937    -0.9611
H     -1.448    -0.2855     -1.596
H     0.3054    -0.4335     -2.071
H     -1.185     -2.515    -0.3792
H    -0.6133     -2.693     -2.093
H     0.5918     -2.526    -0.7483
O     -2.867 -1.759e-16  3.038e-16
H     -3.656     0.1926    -0.4777
16
HEAT OF FORMATION =    -64.020 KCAL =   -268.039 KJ; FOR REACTION COORDINATE =      2.82 DEG
C      0.000      0.000      0.000
Cl      1.850      0.000      0.000
C    -0.4276      1.437      0.000
C    -0.4439    -0.6955     -1.274
C    -0.4088     -2.193     -1.116
H    -0.2948    -0.5441     0.9237
H     -1.559      1.419     0.1659
H    0.06516      2.009     0.8231
H    -0.1716      1.939    -0.9615
H     -1.441    -0.2853     -1.599
H     0.3127    -0.4352     -2.071
H     -1.186     -2.510    -0.3776
H    -0.6164     -2.694     -2.092
H     0.5904     -2.531    -0.7483
O     -2.817 -1.728e-16  2.985e-16
H     -3.647     0.1673    -0.4148
16
HEAT OF FORMATION =    -63.729 KCAL =   -266.819 KJ; FOR REACTION COORDINATE =      2.77 DEG
C      0.000      0.000      0.000
Cl      1.855      0.000      0.000
C    -0.4109      1.443      0.000
C    -0.4371    -0.6961     -1.275
C    -0.4082     -2.193     -1.115
H    -0.2976    -0.5435     0.9225
H     -1.541      1.445     0.1653
H    0.08920      2.007     0.8236
H    -0.1485      1.940    -0.9621
H     -1.434    -0.2855     -1.603
H     0.3203    -0.4377     -2.072
H     -1.187     -2.505    -0.3756
H    -0.6185     -2.694     -2.090
H     0.5898     -2.535    -0.7475
O     -2.767 -1.697e-16  2.932e-16
H     -3.638     0.1345    -0.3335
16
HEAT OF FORMATION =    -63.363 KCAL =   -265.287 KJ; FOR REACTION COORDINATE =      2.72 DEG
C      0.000      0.000      0.000
Cl      1.860      0.000      0.000
C    -0.3940      1.448      0.000
C    -0.4275    -0.6971     -1.276
C    -0.4036     -2.194     -1.115
H    -0.3009    -0.5428     0.9213
H     -1.522      1.469     0.1648
H     0.1132      2.006     0.8240
H    -0.1253      1.941    -0.9627
H     -1.424    -0.2881     -1.608
H     0.3310    -0.4386     -2.072
H     -1.183     -2.502    -0.3748
H    -0.6155     -2.696     -2.089
H     0.5931     -2.539    -0.7466
O     -2.717 -1.667e-16  2.879e-16
H     -3.622    0.09829    -0.2438
16
HEAT OF FORMATION =    -62.918 KCAL =   -263.425 KJ; FOR REACTION COORDINATE =      2.67 DEG
C      0.000      0.000      0.000
Cl      1.865      0.000      0.000
C    -0.3782      1.453      0.000
C    -0.4178    -0.6982     -1.278
C    -0.3985     -2.195     -1.115
H    -0.3038    -0.5421     0.9202
H     -1.503      1.494     0.1642
H     0.1363      2.003     0.8248
H    -0.1033      1.942    -0.9634
H     -1.414    -0.2916     -1.615
H     0.3418    -0.4399     -2.073
H     -1.179     -2.499    -0.3750
H    -0.6116     -2.697     -2.089
H     0.5970     -2.543    -0.7464
O     -2.667 -1.636e-16  2.826e-16
H     -3.600    0.05067    -0.1257
16
HEAT OF FORMATION =    -62.391 KCAL =   -261.217 KJ; FOR REACTION COORDINATE =      2.62 DEG
C      0.000      0.000      0.000
Cl      1.873      0.000      0.000
C    -0.3607      1.457      0.000
C    -0.4049    -0.6996     -1.281
C    -0.3892     -2.196     -1.116
H    -0.3071    -0.5413     0.9188
H     -1.483      1.520     0.1636
H     0.1608      2.001     0.8252
H   -0.07943      1.942    -0.9640
H     -1.402    -0.2993     -1.624
H     0.3562    -0.4396     -2.073
H     -1.172     -2.496    -0.3757
H    -0.6028     -2.700     -2.089
H     0.6050     -2.547    -0.7460
O     -2.617 -1.605e-16  2.773e-16
H     -3.557   -0.02372    0.05882
16
HEAT OF FORMATION =    -61.789 KCAL =   -258.700 KJ; FOR REACTION COORDINATE =      2.57 DEG
C      0.000      0.000      0.000
Cl      1.880      0.000      0.000
C    -0.3445      1.462      0.000
C    -0.3907    -0.7014     -1.284
C    -0.3775     -2.198     -1.117
H    -0.3092    -0.5407     0.9178
H     -1.464      1.544     0.1631
H     0.1840      1.998     0.8259
H   -0.05737      1.943    -0.9646
H     -1.388    -0.3091     -1.635
H     0.3719    -0.4393     -2.073
H     -1.162     -2.495    -0.3769
H    -0.5907     -2.703     -2.089
H     0.6156     -2.550    -0.7449
O     -2.567 -1.575e-16  2.720e-16
H     -3.484   -0.08202     0.2034
16
HEAT OF FORMATION =    -61.128 KCAL =   -255.933 KJ; FOR REACTION COORDINATE =      2.52 DEG
C      0.000      0.000      0.000
Cl      1.890      0.000      0.000
C    -0.3247      1.467      0.000
C    -0.3715    -0.7037     -1.288
C    -0.3605     -2.200     -1.119
H    -0.3089    -0.5401     0.9169
H     -1.441      1.571     0.1625
H     0.2116      1.995     0.8263
H   -0.03053      1.943    -0.9652
H     -1.368    -0.3234     -1.649
H     0.3932    -0.4371     -2.073
H     -1.146     -2.495    -0.3800
H    -0.5725     -2.706     -2.091
H     0.6314     -2.553    -0.7447
O     -2.517 -1.544e-16  2.667e-16
H     -3.336    -0.1747     0.4332
16
HEAT OF FORMATION =    -60.438 KCAL =   -253.042 KJ; FOR REACTION COORDINATE =      2.47 DEG
C      0.000      0.000      0.000
Cl      1.905      0.000      0.000
C    -0.3030      1.473      0.000
C    -0.3492    -0.7062     -1.293
C    -0.3397     -2.203     -1.121
H    -0.3035    -0.5403     0.9172
H     -1.415      1.600     0.1619
H     0.2419      1.991     0.8270
H  -0.001079      1.942    -0.9661
H     -1.346    -0.3387     -1.664
H     0.4174    -0.4355     -2.073
H     -1.127     -2.495    -0.3830
H    -0.5502     -2.710     -2.093
H     0.6513     -2.556    -0.7443
O     -2.467 -1.513e-16  2.614e-16
H     -3.143    -0.2458     0.6097
16
HEAT OF FORMATION =    -59.729 KCAL =   -250.074 KJ; FOR REACTION COORDINATE =      2.42 DEG
C      0.000      0.000      0.000
Cl      1.923      0.000      0.000
C    -0.2802      1.478      0.000
C    -0.3264    -0.7085     -1.297
C    -0.3183     -2.205     -1.123
H    -0.2926    -0.5411     0.9185
H     -1.387      1.631     0.1612
H     0.2735      1.987     0.8277
H    0.02962      1.941    -0.9668
H     -1.324    -0.3521     -1.678
H     0.4420    -0.4319     -2.073
H     -1.107     -2.496    -0.3866
H    -0.5277     -2.713     -2.095
H     0.6717     -2.559    -0.7450
O     -2.417 -1.483e-16  2.561e-16
H     -2.978    -0.2833     0.7026
16
HEAT OF FORMATION =    -59.018 KCAL =   -247.096 KJ; FOR REACTION COORDINATE =      2.37 DEG
C      0.000      0.000      0.000
Cl      1.945      0.000      0.000
C    -0.2558      1.483      0.000
C    -0.3015    -0.7108     -1.302
C    -0.2941     -2.208     -1.125
H    -0.2766    -0.5425     0.9209
H     -1.356      1.664     0.1604
H     0.3070      1.980     0.8283
H    0.06234      1.938    -0.9678
H     -1.300    -0.3660     -1.691
H     0.4681    -0.4279     -2.072
H     -1.084     -2.496    -0.3887
H    -0.5025     -2.717     -2.096
H     0.6954     -2.560    -0.7449
O     -2.367 -1.452e-16  2.508e-16
H     -2.841    -0.3047     0.7558
16
HEAT OF FORMATION =    -55.698 KCAL =   -233.195 KJ; FOR REACTION COORDINATE =      2.32 DEG
C      0.000      0.000      0.000
Cl      1.965      0.000      0.000
C    -0.2249      1.489      0.000
C    -0.2373    -0.7180     -1.315
C    -0.2196     -2.215     -1.134
H    -0.2803    -0.5415     0.9192
H     -1.318      1.697     0.1599
H     0.3487      1.973     0.8289
H     0.1029      1.937    -0.9684
H     -1.233    -0.4057     -1.730
H     0.5395    -0.4166     -2.070
H     -1.016     -2.507    -0.4059
H    -0.4123     -2.728     -2.107
H     0.7679     -2.558    -0.7410
O     -2.317 -1.421e-16  2.455e-16
H     -2.850     0.2907    -0.7210
16
HEAT OF FORMATION =    -54.861 KCAL =   -229.691 KJ; FOR REACTION COORDINATE =      2.27 DEG
C      0.000      0.000      0.000
Cl      2.013      0.000      0.000
C    -0.1887      1.493      0.000
C    -0.1884    -0.7209     -1.320
C    -0.1649     -2.218     -1.134
H    -0.2486    -0.5443     0.9239
H     -1.271      1.745     0.1586
H     0.3974      1.961     0.8296
H     0.1506      1.931    -0.9694
H     -1.185    -0.4393     -1.754
H     0.5889    -0.4055     -2.066
H    -0.9621     -2.512    -0.4076
H    -0.3528     -2.735     -2.106
H     0.8231     -2.555    -0.7376
O     -2.267 -1.391e-16  2.402e-16
H     -2.692     0.3147    -0.7805
16
HEAT OF FORMATION =    -54.418 KCAL =   -227.837 KJ; FOR REACTION COORDINATE =      2.22 DEG
C      0.000      0.000      0.000
Cl      2.080      0.000      0.000
C    -0.1474      1.495      0.000
C    -0.1342    -0.7226     -1.323
C    -0.1028     -2.220     -1.135
H    -0.2026    -0.5480     0.9302
H     -1.218      1.787     0.1578
H     0.4518      1.946     0.8301
H     0.2042      1.922    -0.9701
H     -1.133    -0.4721     -1.774
H     0.6417    -0.3872     -2.059
H    -0.8985     -2.518    -0.4094
H    -0.2872     -2.738     -2.107
H     0.8874     -2.549    -0.7376
O     -2.217 -1.360e-16  2.349e-16
H     -2.566     0.3275    -0.8123
16
HEAT OF FORMATION =    -54.580 KCAL =   -228.514 KJ; FOR REACTION COORDINATE =      2.17 DEG
C      0.000      0.000      0.000
Cl      2.182      0.000      0.000
C   -0.09405      1.495      0.000
C   -0.06691    -0.7228     -1.324
C   -0.02384     -2.220     -1.135
H    -0.1359    -0.5521     0.9371
H     -1.151      1.830     0.1574
H     0.5209      1.924     0.8302
H     0.2723      1.911    -0.9698
H     -1.070    -0.5081     -1.790
H     0.7044    -0.3613     -2.048
H    -0.8150     -2.527    -0.4077
H    -0.2063     -2.740     -2.106
H     0.9701     -2.541    -0.7392
O     -2.167 -1.329e-16  2.296e-16
H     -2.451     0.3363    -0.8339
16
HEAT OF FORMATION =    -55.633 KCAL =   -232.923 KJ; FOR REACTION COORDINATE =      2.12 DEG
C      0.000      0.000      0.000
Cl      2.325      0.000      0.000
C   -0.03020      1.492      0.000
C    0.01300    -0.7213     -1.321
C    0.07269     -2.218     -1.130
H   -0.05144    -0.5549     0.9420
H     -1.071      1.874     0.1573
H     0.6028      1.893     0.8306
H     0.3532      1.895    -0.9690
H    -0.9955    -0.5466     -1.801
H     0.7755    -0.3262     -2.034
H    -0.7102     -2.535    -0.3990
H    -0.1095     -2.741     -2.100
H      1.073     -2.524    -0.7392
O     -2.117 -1.299e-16  2.243e-16
H     -2.349     0.3417    -0.8476
16
HEAT OF FORMATION =    -58.623 KCAL =   -245.444 KJ; FOR REACTION COORDINATE =      2.10 DEG
C      0.000      0.000      0.000
Cl      2.099      0.000      0.000
C     0.1422      1.535      0.000
C     0.1113    -0.7768     -1.343
C     0.1156     -2.262     -1.087
H     0.1104    -0.5555     0.9514
H    -0.8447      2.050     0.1439
H     0.7981      1.876     0.8358
H     0.5675      1.886    -0.9694
H    -0.7597    -0.5287     -2.012
H      1.027    -0.4789     -1.917
H    -0.8014     -2.556    -0.5201
H     0.1372     -2.830     -2.049
H      1.014     -2.543    -0.4849
O     -1.616 -9.744e-17  1.723e-16
H     -1.913     0.4969    -0.7447
16
HEAT OF FORMATION =    -64.012 KCAL =   -268.004 KJ; FOR REACTION COORDINATE =      2.15 DEG
C      0.000      0.000      0.000
Cl      2.149      0.000      0.000
C     0.1821      1.532      0.000
C     0.1510    -0.7724     -1.343
C     0.1625     -2.258     -1.088
H     0.1560    -0.5553     0.9460
H    -0.7992      2.066     0.1139
H     0.8202      1.858     0.8546
H     0.6415      1.874    -0.9566
H    -0.7149    -0.5326     -2.023
H      1.073    -0.4619     -1.897
H    -0.7579     -2.561    -0.5316
H     0.1990     -2.824     -2.050
H      1.057     -2.531    -0.4769
O     -1.573 -9.516e-17  1.675e-16
H     -1.869     0.4919    -0.7481
16
HEAT OF FORMATION =    -69.242 KCAL =   -289.904 KJ; FOR REACTION COORDINATE =      2.20 DEG
C      0.000      0.000      0.000
Cl      2.199      0.000      0.000
C     0.2132      1.526      0.000
C     0.1819    -0.7706     -1.339
C     0.2083     -2.256     -1.092
H     0.1872    -0.5540     0.9410
H    -0.7627      2.075    0.09673
H     0.8438      1.840     0.8643
H     0.6937      1.860    -0.9490
H    -0.6757    -0.5375     -2.032
H      1.112    -0.4505     -1.876
H    -0.7160     -2.576    -0.5521
H     0.2672     -2.816     -2.057
H      1.097     -2.521    -0.4691
O     -1.548 -9.397e-17  1.646e-16
H     -1.841     0.4914    -0.7495
16
HEAT OF FORMATION =    -74.200 KCAL =   -310.661 KJ; FOR REACTION COORDINATE =      2.25 DEG
C      0.000      0.000      0.000
Cl      2.249      0.000      0.000
C     0.2386      1.521      0.000
C     0.2071    -0.7671     -1.335
C     0.2425     -2.253     -1.089
H     0.2108    -0.5522     0.9378
H    -0.7311      2.082    0.08673
H     0.8658      1.826     0.8697
H     0.7316      1.847    -0.9449
H    -0.6425    -0.5338     -2.038
H      1.146    -0.4354     -1.850
H    -0.6810     -2.581    -0.5527
H     0.3082     -2.811     -2.055
H      1.132     -2.511    -0.4646
O     -1.529 -9.285e-17  1.626e-16
H     -1.821     0.4886    -0.7519
16
HEAT OF FORMATION =    -78.836 KCAL =   -330.071 KJ; FOR REACTION COORDINATE =      2.30 DEG
C      0.000      0.000      0.000
Cl      2.299      0.000      0.000
C     0.2622      1.515      0.000
C     0.2305    -0.7650     -1.330
C     0.2666     -2.251     -1.086
H     0.2311    -0.5508     0.9345
H    -0.7008      2.089    0.08335
H     0.8927      1.810     0.8708
H     0.7648      1.835    -0.9423
H    -0.6107    -0.5359     -2.045
H      1.178    -0.4298     -1.827
H    -0.6639     -2.583    -0.5639
H     0.3497     -2.808     -2.051
H      1.148     -2.505    -0.4474
O     -1.515 -9.168e-17  1.613e-16
H     -1.805     0.4868    -0.7541
16
HEAT OF FORMATION =    -83.129 KCAL =   -348.044 KJ; FOR REACTION COORDINATE =      2.35 DEG
C      0.000      0.000      0.000
Cl      2.349      0.000      0.000
C     0.2828      1.510      0.000
C     0.2512    -0.7633     -1.325
C     0.2888     -2.249     -1.082
H     0.2477    -0.5489     0.9319
H    -0.6744      2.093    0.08283
H     0.9179      1.795     0.8706
H     0.7910      1.823    -0.9414
H    -0.5802    -0.5338     -2.050
H      1.208    -0.4241     -1.803
H    -0.6450     -2.586    -0.5694
H     0.3826     -2.804     -2.047
H      1.166     -2.501    -0.4361
O     -1.504 -9.070e-17  1.604e-16
H     -1.791     0.4803    -0.7592
16
HEAT OF FORMATION =    -87.078 KCAL =   -364.579 KJ; FOR REACTION COORDINATE =      2.40 DEG
C      0.000      0.000      0.000
Cl      2.399      0.000      0.000
C     0.3025      1.504      0.000
C     0.2711    -0.7627     -1.320
C     0.3049     -2.249     -1.076
H     0.2605    -0.5474     0.9302
H    -0.6480      2.099    0.08333
H     0.9428      1.780     0.8697
H     0.8147      1.812    -0.9409
H    -0.5465    -0.5303     -2.059
H      1.241    -0.4240     -1.774
H    -0.6360     -2.586    -0.5768
H     0.4123     -2.803     -2.040
H      1.173     -2.500    -0.4191
O     -1.495 -8.981e-17  1.595e-16
H     -1.780     0.4790    -0.7606
16
HEAT OF FORMATION =    -90.695 KCAL =   -379.722 KJ; FOR REACTION COORDINATE =      2.45 DEG
C      0.000      0.000      0.000
Cl      2.449      0.000      0.000
C     0.3208      1.499      0.000
C     0.2903    -0.7618     -1.314
C     0.3141     -2.248     -1.073
H     0.2704    -0.5454     0.9293
H    -0.6232      2.102    0.08855
H     0.9702      1.765     0.8662
H     0.8331      1.801    -0.9425
H    -0.5082    -0.5224     -2.070
H      1.276    -0.4263     -1.738
H    -0.6359     -2.585    -0.5907
H     0.4368     -2.801     -2.036
H      1.170     -2.503    -0.4010
O     -1.487 -8.903e-17  1.589e-16
H     -1.770     0.4712    -0.7663
16
HEAT OF FORMATION =    -94.024 KCAL =   -393.658 KJ; FOR REACTION COORDINATE =      2.50 DEG
C      0.000      0.000      0.000
Cl      2.499      0.000      0.000
C     0.3371      1.494      0.000
C     0.3073    -0.7630     -1.306
C     0.2552     -2.251     -1.080
H     0.2777    -0.5430     0.9294
H    -0.6015      2.105    0.08835
H     0.9911      1.751     0.8654
H     0.8537      1.790    -0.9423
H    -0.4472    -0.4761     -2.089
H      1.331    -0.4681     -1.675
H    -0.7233     -2.548    -0.6296
H     0.3829     -2.800     -2.044
H      1.077     -2.551    -0.3850
O     -1.481 -8.833e-17  1.584e-16
H     -1.761     0.4593    -0.7743
16
HEAT OF FORMATION =    -97.239 KCAL =   -407.120 KJ; FOR REACTION COORDINATE =      2.55 DEG
C      0.000      0.000      0.000
Cl      2.549      0.000      0.000
C     0.3510      1.488      0.000
C     0.3125    -0.7547     -1.308
C    -0.1398     -2.188     -1.232
H     0.2851    -0.5501     0.9228
H    -0.5844      2.106    0.06202
H     0.9880      1.743     0.8784
H     0.8933      1.772    -0.9317
H    -0.2083    -0.2368     -2.157
H      1.433    -0.7031     -1.483
H     -1.226     -2.253    -0.9760
H    0.02580     -2.702     -2.210
H     0.4396     -2.729    -0.4451
O     -1.477 -8.779e-17  1.582e-16
H     -1.754     0.4033    -0.8060
16
HEAT OF FORMATION =   -100.098 KCAL =   -419.090 KJ; FOR REACTION COORDINATE =      2.60 DEG
C      0.000      0.000      0.000
Cl      2.599      0.000      0.000
C     0.3658      1.483      0.000
C     0.3311    -0.7543     -1.302
C    -0.1220     -2.187     -1.232
H     0.2906    -0.5484     0.9230
H    -0.5627      2.111    0.06448
H      1.010      1.729     0.8763
H     0.9111      1.761    -0.9318
H    -0.1732    -0.2364     -2.160
H      1.458    -0.7004     -1.450
H     -1.212     -2.252    -0.9956
H    0.06119     -2.702     -2.207
H     0.4433     -2.728    -0.4351
O     -1.472 -8.717e-17  1.578e-16
H     -1.748     0.3962    -0.8100
16
HEAT OF FORMATION =   -102.701 KCAL =   -429.989 KJ; FOR REACTION COORDINATE =      2.65 DEG
C      0.000      0.000      0.000
Cl      2.649      0.000      0.000
C     0.3800      1.478      0.000
C     0.3500    -0.7574     -1.292
C    -0.1083     -2.188     -1.232
H     0.2925    -0.5461     0.9250
H    -0.5422      2.114    0.07358
H      1.035      1.714     0.8708
H     0.9215      1.752    -0.9352
H    -0.1317    -0.2386     -2.162
H      1.484    -0.7060     -1.409
H     -1.204     -2.252     -1.019
H    0.09491     -2.704     -2.202
H     0.4376     -2.731    -0.4228
O     -1.467 -8.658e-17  1.575e-16
H     -1.742     0.3833    -0.8166
16
HEAT OF FORMATION =   -105.061 KCAL =   -439.868 KJ; FOR REACTION COORDINATE =      2.70 DEG
C      0.000      0.000      0.000
Cl      2.699      0.000      0.000
C     0.3954      1.473      0.000
C     0.3686    -0.7622     -1.281
C   -0.09450     -2.191     -1.227
H     0.2914    -0.5414     0.9294
H    -0.5195      2.117    0.07947
H      1.060      1.699     0.8666
H     0.9365      1.742    -0.9372
H   -0.09048    -0.2432     -2.162
H      1.508    -0.7126     -1.368
H     -1.195     -2.252     -1.039
H     0.1293     -2.710     -2.191
H     0.4312     -2.734    -0.4048
O     -1.463 -8.603e-17  1.572e-16
H     -1.736     0.3668    -0.8247
16
HEAT OF FORMATION =   -107.194 KCAL =   -448.798 KJ; FOR REACTION COORDINATE =      2.75 DEG
C      0.000      0.000      0.000
Cl      2.749      0.000      0.000
C     0.4058      1.470      0.000
C     0.3869    -0.7631     -1.273
C   -0.07551     -2.193     -1.228
H     0.2937    -0.5409     0.9299
H    -0.5024      2.119     0.1001
H      1.090      1.684     0.8541
H     0.9324      1.738    -0.9455
H   -0.05442    -0.2446     -2.163
H      1.530    -0.7102     -1.333
H     -1.179     -2.255     -1.060
H     0.1655     -2.710     -2.189
H     0.4362     -2.736    -0.3972
O     -1.460 -8.550e-17  1.570e-16
H     -1.732     0.3613    -0.8273
16
HEAT OF FORMATION =   -109.116 KCAL =   -456.846 KJ; FOR REACTION COORDINATE =      2.80 DEG
C      0.000      0.000      0.000
Cl      2.799      0.000      0.000
C     0.4184      1.465      0.000
C     0.4059    -0.7662     -1.262
C   -0.06438     -2.193     -1.229
H     0.2926    -0.5377     0.9337
H    -0.4804      2.122     0.1306
H      1.131      1.664     0.8348
H     0.9218      1.736    -0.9576
H   -0.01048    -0.2471     -2.164
H      1.553    -0.7171     -1.292
H     -1.172     -2.250     -1.088
H     0.1981     -2.712     -2.182
H     0.4233     -2.739    -0.3848
O     -1.456 -8.497e-17  1.567e-16
H     -1.728     0.3517    -0.8317
16
HEAT OF FORMATION =   -111.725 KCAL =   -467.769 KJ; FOR REACTION COORDINATE =      2.85 DEG
C      0.000      0.000      0.000
Cl      2.849      0.000      0.000
C     0.4023      1.466      0.000
C     0.4179    -0.7527     -1.263
C   -0.04799     -2.182     -1.242
H     0.2985    -0.5313     0.9346
H   -0.06989      1.985     0.8673
H      1.531      1.521    0.06973
H    0.05818      1.962    -0.9391
H   0.001770    -0.2295     -2.162
H      1.563    -0.7005     -1.292
H     -1.156     -2.241     -1.106
H     0.2200     -2.693     -2.198
H     0.4384     -2.732    -0.4009
O     -1.457 -8.439e-17  1.572e-16
H     -1.725     0.4043    -0.8085
16
HEAT OF FORMATION =   -113.499 KCAL =   -475.198 KJ; FOR REACTION COORDINATE =      2.90 DEG
C      0.000      0.000      0.000
Cl      2.899      0.000      0.000
C     0.4203      1.460      0.000
C     0.4357    -0.7541     -1.255
C   -0.03204     -2.182     -1.244
H     0.2964    -0.5297     0.9376
H   -0.03993      1.986     0.8691
H      1.552      1.493    0.06763
H    0.08218      1.962    -0.9373
H    0.03822    -0.2284     -2.161
H      1.582    -0.7015     -1.263
H     -1.142     -2.242     -1.124
H     0.2494     -2.692     -2.197
H     0.4402     -2.736    -0.3964
O     -1.453 -8.385e-17  1.569e-16
H     -1.721     0.4028    -0.8093
16
HEAT OF FORMATION =   -115.084 KCAL =   -481.835 KJ; FOR REACTION COORDINATE =      2.95 DEG
C      0.000      0.000      0.000
Cl      2.949      0.000      0.000
C     0.4369      1.454      0.000
C     0.4536    -0.7631     -1.241
C   -0.02328     -2.188     -1.236
H     0.2931    -0.5291     0.9404
H   -0.01060      1.985     0.8720
H      1.571      1.468    0.06227
H     0.1023      1.963    -0.9350
H    0.08248    -0.2383     -2.158
H      1.602    -0.7151     -1.222
H     -1.137     -2.239     -1.151
H     0.2846     -2.705     -2.177
H     0.4182     -2.739    -0.3712
O     -1.450 -8.338e-17  1.568e-16
H     -1.718     0.3974    -0.8120
16
HEAT OF FORMATION =   -116.490 KCAL =   -487.721 KJ; FOR REACTION COORDINATE =      3.00 DEG
C      0.000      0.000      0.000
Cl      2.999      0.000      0.000
C     0.4529      1.448      0.000
C     0.4708    -0.7643     -1.233
C   -0.01086     -2.188     -1.236
H     0.2900    -0.5272     0.9440
H    0.01576      1.985     0.8732
H      1.588      1.444    0.05981
H     0.1241      1.962    -0.9340
H     0.1185    -0.2391     -2.157
H      1.620    -0.7193     -1.190
H     -1.126     -2.235     -1.162
H     0.3050     -2.704     -2.174
H     0.4193     -2.743    -0.3671
O     -1.447 -8.289e-17  1.566e-16
H     -1.716     0.3927    -0.8142
16
HEAT OF FORMATION =   -117.719 KCAL =   -492.864 KJ; FOR REACTION COORDINATE =      3.05 DEG
C      0.000      0.000      0.000
Cl      3.049      0.000      0.000
C     0.4680      1.443      0.000
C     0.4875    -0.7663     -1.223
C   0.007332     -2.190     -1.235
H     0.2857    -0.5268     0.9463
H    0.03890      1.987     0.8727
H      1.604      1.423    0.05955
H     0.1461      1.960    -0.9341
H     0.1498    -0.2416     -2.153
H      1.637    -0.7172     -1.161
H     -1.108     -2.238     -1.179
H     0.3380     -2.705     -2.169
H     0.4243     -2.746    -0.3602
O     -1.445 -8.244e-17  1.565e-16
H     -1.713     0.3859    -0.8176
16
HEAT OF FORMATION =   -118.783 KCAL =   -497.321 KJ; FOR REACTION COORDINATE =      3.10 DEG
C      0.000      0.000      0.000
Cl      3.099      0.000      0.000
C     0.4837      1.436      0.000
C     0.5051    -0.7718     -1.212
C    0.02185     -2.194     -1.224
H     0.2807    -0.5224     0.9522
H    0.06161      1.986     0.8728
H      1.620      1.401    0.06008
H     0.1693      1.958    -0.9341
H     0.1858    -0.2504     -2.149
H      1.656    -0.7256     -1.131
H     -1.095     -2.239     -1.188
H     0.3683     -2.715     -2.149
H     0.4212     -2.746    -0.3391
O     -1.442 -8.196e-17  1.564e-16
H     -1.711     0.3826    -0.8189
16
HEAT OF FORMATION =   -119.684 KCAL =   -501.093 KJ; FOR REACTION COORDINATE =      3.15 DEG
C      0.000      0.000      0.000
Cl      3.149      0.000      0.000
C     0.4977      1.431      0.000
C     0.5225    -0.7769     -1.199
C    0.03930     -2.199     -1.214
H     0.2751    -0.5197     0.9568
H    0.08243      1.986     0.8720
H      1.635      1.381    0.06065
H     0.1911      1.956    -0.9351
H     0.2192    -0.2595     -2.145
H      1.673    -0.7287     -1.100
H     -1.078     -2.244     -1.193
H     0.3987     -2.723     -2.132
H     0.4258     -2.748    -0.3212
O     -1.439 -8.182e-17  1.561e-16
H     -1.708     0.3755    -0.8221
16
HEAT OF FORMATION =   -120.429 KCAL =   -504.212 KJ; FOR REACTION COORDINATE =      3.20 DEG
C      0.000      0.000      0.000
Cl      3.199      0.000      0.000
C     0.5107      1.427      0.000
C     0.5380    -0.7798     -1.190
C    0.05856     -2.203     -1.209
H     0.2720    -0.5185     0.9595
H     0.1008      1.986     0.8716
H      1.647      1.365    0.06264
H     0.2109      1.954    -0.9352
H     0.2461    -0.2648     -2.140
H      1.688    -0.7289     -1.078
H     -1.059     -2.250     -1.201
H     0.4294     -2.727     -2.123
H     0.4363     -2.751    -0.3118
O     -1.437 -8.171e-17  1.559e-16
H     -1.708     0.3692    -0.8246
16
HEAT OF FORMATION =   -121.026 KCAL =   -506.711 KJ; FOR REACTION COORDINATE =      3.25 DEG
C      0.000      0.000      0.000
Cl      3.249      0.000      0.000
C     0.5232      1.422      0.000
C     0.5538    -0.7848     -1.179
C    0.07656     -2.209     -1.199
H     0.2667    -0.5140     0.9648
H     0.1176      1.987     0.8702
H      1.660      1.350    0.06522
H     0.2312      1.952    -0.9362
H     0.2766    -0.2747     -2.136
H      1.703    -0.7316     -1.050
H     -1.041     -2.257     -1.205
H     0.4601     -2.735     -2.106
H     0.4430     -2.753    -0.2947
O     -1.435 -8.158e-17  1.557e-16
H     -1.706     0.3644    -0.8265
16
HEAT OF FORMATION =   -121.482 KCAL =   -508.622 KJ; FOR REACTION COORDINATE =      3.30 DEG
C      0.000      0.000      0.000
Cl      3.299      0.000      0.000
C     0.5321      1.419      0.000
C     0.5679    -0.7881     -1.170
C    0.09169     -2.212     -1.189
H     0.2636    -0.5114     0.9680
H     0.1291      1.986     0.8701
H      1.668      1.341    0.06681
H     0.2444      1.951    -0.9361
H     0.3019    -0.2816     -2.131
H      1.716    -0.7331     -1.028
H     -1.025     -2.261     -1.211
H     0.4889     -2.744     -2.087
H     0.4448     -2.752    -0.2766
O     -1.433 -8.149e-17  1.555e-16
H     -1.705     0.3567    -0.8298
16
HEAT OF FORMATION =   -121.807 KCAL =   -509.981 KJ; FOR REACTION COORDINATE =      3.35 DEG
C      0.000      0.000      0.000
Cl      3.349      0.000      0.000
C     0.5403      1.416      0.000
C     0.5819    -0.7868     -1.163
C     0.1108     -2.212     -1.186
H     0.2599    -0.5110     0.9703
H     0.1409      1.987     0.8689
H      1.675      1.332    0.06751
H     0.2575      1.949    -0.9374
H     0.3219    -0.2830     -2.128
H      1.728    -0.7277     -1.012
H     -1.006     -2.265     -1.214
H     0.5142     -2.741     -2.083
H     0.4615     -2.752    -0.2731
O     -1.432 -8.138e-17  1.553e-16
H     -1.704     0.3422    -0.8355
16
HEAT OF FORMATION =   -122.016 KCAL =   -510.858 KJ; FOR REACTION COORDINATE =      3.40 DEG
C      0.000      0.000      0.000
Cl      3.399      0.000      0.000
C     0.5444      1.414      0.000
C     0.5948    -0.7937     -1.151
C     0.1268     -2.221     -1.169
H     0.2563    -0.5065     0.9748
H     0.1444      1.988     0.8665
H      1.678      1.330    0.07159
H     0.2671      1.947    -0.9393
H     0.3472    -0.2970     -2.123
H      1.740    -0.7314    -0.9900
H    -0.9894     -2.275     -1.210
H     0.5419     -2.755     -2.058
H     0.4673     -2.753    -0.2481
O     -1.430 -8.132e-17  1.552e-16
H     -1.703     0.3468    -0.8335
16
HEAT OF FORMATION =   -122.122 KCAL =   -511.300 KJ; FOR REACTION COORDINATE =      3.45 DEG
C      0.000      0.000      0.000
Cl      3.449      0.000      0.000
C     0.5491      1.413      0.000
C     0.6054    -0.7921     -1.147
C     0.1422     -2.221     -1.166
H     0.2546    -0.5053     0.9764
H     0.1488      1.988     0.8660
H      1.681      1.329    0.07313
H     0.2742      1.946    -0.9399
H     0.3587    -0.2977     -2.120
H      1.749    -0.7271    -0.9805
H    -0.9735     -2.278     -1.213
H     0.5638     -2.754     -2.052
H     0.4800     -2.751    -0.2434
O     -1.429 -8.124e-17  1.550e-16
H     -1.702     0.3352    -0.8381
16
HEAT OF FORMATION =   -122.142 KCAL =   -511.386 KJ; FOR REACTION COORDINATE =      3.50 DEG
C      0.000      0.000      0.000
Cl      3.499      0.000      0.000
C     0.5515      1.412      0.000
C     0.6139    -0.7949     -1.140
C     0.1519     -2.224     -1.159
H     0.2527    -0.5032     0.9786
H     0.1491      1.989     0.8639
H      1.682      1.331    0.07670
H     0.2799      1.944    -0.9414
H     0.3740    -0.3033     -2.117
H      1.756    -0.7288    -0.9703
H    -0.9635     -2.282     -1.211
H     0.5785     -2.760     -2.041
H     0.4848     -2.752    -0.2323
O     -1.428 -8.121e-17  1.549e-16
H     -1.702     0.3362    -0.8374
16
HEAT OF FORMATION =   -122.095 KCAL =   -511.189 KJ; FOR REACTION COORDINATE =      3.55 DEG
C      0.000      0.000      0.000
Cl      3.549      0.000      0.000
C     0.5523      1.412      0.000
C     0.6192    -0.7951     -1.137
C     0.1616     -2.226     -1.154
H     0.2521    -0.5011     0.9802
H     0.1474      1.990     0.8626
H      1.681      1.334    0.07837
H     0.2813      1.943    -0.9423
H     0.3787    -0.3057     -2.115
H      1.759    -0.7272    -0.9684
H    -0.9535     -2.287     -1.207
H     0.5909     -2.761     -2.035
H     0.4955     -2.751    -0.2268
O     -1.428 -8.115e-17  1.548e-16
H     -1.702     0.3323    -0.8388
16
HEAT OF FORMATION =   -121.998 KCAL =   -510.782 KJ; FOR REACTION COORDINATE =      3.60 DEG
C      0.000      0.000      0.000
Cl      3.599      0.000      0.000
C     0.5533      1.412      0.000
C     0.6216    -0.7945     -1.137
C     0.1663     -2.226     -1.152
H     0.2516    -0.5015     0.9802
H     0.1471      1.990     0.8618
H      1.681      1.337    0.08061
H     0.2839      1.943    -0.9430
H     0.3800    -0.3066     -2.115
H      1.759    -0.7265    -0.9707
H    -0.9488     -2.289     -1.205
H     0.5959     -2.761     -2.033
H     0.5017     -2.751    -0.2248
O     -1.427 -8.112e-17  1.548e-16
H     -1.701     0.3349    -0.8377
16
HEAT OF FORMATION =   -121.867 KCAL =   -510.233 KJ; FOR REACTION COORDINATE =      3.65 DEG
C      0.000      0.000      0.000
Cl      3.649      0.000      0.000
C     0.5542      1.412      0.000
C     0.6207    -0.7948     -1.137
C     0.1654     -2.227     -1.150
H     0.2514    -0.5015     0.9803
H     0.1463      1.991     0.8602
H      1.680      1.338    0.08298
H     0.2868      1.942    -0.9438
H     0.3766    -0.3078     -2.116
H      1.756    -0.7282    -0.9761
H    -0.9497     -2.289     -1.199
H     0.5924     -2.762     -2.032
H     0.5036     -2.750    -0.2234
O     -1.427 -8.109e-17  1.547e-16
H     -1.701     0.3383    -0.8363
16
HEAT OF FORMATION =   -121.716 KCAL =   -509.602 KJ; FOR REACTION COORDINATE =      3.70 DEG
C      0.000      0.000      0.000
Cl      3.699      0.000      0.000
C     0.5582      1.410      0.000
C     0.6149    -0.7965     -1.140
C     0.1568     -2.228     -1.149
H     0.2518    -0.5033     0.9794
H     0.1521      1.989     0.8611
H      1.684      1.336    0.08119
H     0.2904      1.941    -0.9434
H     0.3647    -0.3101     -2.117
H      1.749    -0.7352    -0.9900
H    -0.9588     -2.288     -1.190
H     0.5765     -2.765     -2.033
H     0.5006     -2.751    -0.2238
O     -1.426 -8.109e-17  1.547e-16
H     -1.701     0.3453    -0.8334
16
HEAT OF FORMATION =   -121.552 KCAL =   -508.915 KJ; FOR REACTION COORDINATE =      3.75 DEG
C      0.000      0.000      0.000
Cl      3.749      0.000      0.000
C     0.5605      1.409      0.000
C     0.6118    -0.7980     -1.142
C     0.1517     -2.229     -1.146
H     0.2518    -0.5042     0.9789
H     0.1551      1.989     0.8608
H      1.685      1.335    0.08223
H     0.2939      1.940    -0.9437
H     0.3574    -0.3129     -2.119
H      1.745    -0.7405    -0.9998
H    -0.9641     -2.286     -1.181
H     0.5663     -2.768     -2.032
H     0.4995     -2.752    -0.2221
O     -1.426 -8.106e-17  1.547e-16
H     -1.701     0.3514    -0.8307
16
HEAT OF FORMATION =   -121.379 KCAL =   -508.190 KJ; FOR REACTION COORDINATE =      3.80 DEG
C      0.000      0.000      0.000
Cl      3.799      0.000      0.000
C     0.5625      1.408      0.000
C     0.6071    -0.7982     -1.144
C     0.1449     -2.229     -1.147
H     0.2525    -0.5050     0.9783
H     0.1574      1.989     0.8608
H      1.686      1.336    0.08209
H     0.2974      1.940    -0.9440
H     0.3482    -0.3123     -2.120
H      1.739    -0.7430     -1.009
H    -0.9713     -2.284     -1.172
H     0.5506     -2.767     -2.037
H     0.5002     -2.753    -0.2267
O     -1.426 -8.105e-17  1.547e-16
H     -1.701     0.3561    -0.8287
16
HEAT OF FORMATION =   -121.197 KCAL =   -507.427 KJ; FOR REACTION COORDINATE =      3.85 DEG
C      0.000      0.000      0.000
Cl      3.849      0.000      0.000
C     0.5653      1.407      0.000
C     0.6041    -0.7983     -1.146
C     0.1428     -2.229     -1.147
H     0.2528    -0.5073     0.9770
H     0.1632      1.988     0.8621
H      1.689      1.334    0.07971
H     0.2990      1.940    -0.9430
H     0.3394    -0.3121     -2.120
H      1.735    -0.7430     -1.019
H    -0.9734     -2.286     -1.168
H     0.5456     -2.767     -2.039
H     0.5020     -2.754    -0.2284
O     -1.426 -8.105e-17  1.546e-16
H     -1.701     0.3687    -0.8231
16
HEAT OF FORMATION =   -121.007 KCAL =   -506.631 KJ; FOR REACTION COORDINATE =      3.90 DEG
C      0.000      0.000      0.000
Cl      3.899      0.000      0.000
C     0.5654      1.407      0.000
C     0.5999    -0.7991     -1.149
C     0.1365     -2.230     -1.146
H     0.2534    -0.5073     0.9767
H     0.1620      1.987     0.8618
H      1.688      1.335    0.08054
H     0.2991      1.939    -0.9433
H     0.3317    -0.3135     -2.122
H      1.730    -0.7472     -1.028
H    -0.9798     -2.284     -1.164
H     0.5361     -2.769     -2.038
H     0.4973     -2.753    -0.2279
O     -1.426 -8.104e-17  1.546e-16
H     -1.701     0.3708    -0.8222
16
HEAT OF FORMATION =   -120.807 KCAL =   -505.794 KJ; FOR REACTION COORDINATE =      3.95 DEG
C      0.000      0.000      0.000
Cl      3.949      0.000      0.000
C     0.5681      1.406      0.000
C     0.5985    -0.7990     -1.150
C     0.1346     -2.230     -1.147
H     0.2534    -0.5086     0.9760
H     0.1653      1.987     0.8612
H      1.690      1.333    0.08225
H     0.3034      1.939    -0.9435
H     0.3274    -0.3133     -2.123
H      1.727    -0.7485     -1.034
H    -0.9817     -2.283     -1.162
H     0.5317     -2.769     -2.041
H     0.4979     -2.754    -0.2301
O     -1.425 -8.102e-17  1.546e-16
H     -1.701     0.3694    -0.8226
16
HEAT OF FORMATION =   -120.598 KCAL =   -504.919 KJ; FOR REACTION COORDINATE =      4.00 DEG
C      0.000      0.000      0.000
Cl      3.999      0.000      0.000
C     0.5672      1.406      0.000
C     0.5975    -0.7990     -1.151
C     0.1345     -2.230     -1.147
H     0.2539    -0.5085     0.9760
H     0.1639      1.987     0.8616
H      1.688      1.336    0.08154
H     0.3020      1.938    -0.9437
H     0.3243    -0.3138     -2.123
H      1.725    -0.7480     -1.038
H    -0.9820     -2.282     -1.160
H     0.5303     -2.769     -2.041
H     0.4996     -2.754    -0.2303
O     -1.425 -8.101e-17  1.546e-16
H     -1.701     0.3701    -0.8224
16
HEAT OF FORMATION =   -120.382 KCAL =   -504.014 KJ; FOR REACTION COORDINATE =      4.05 DEG
C      0.000      0.000      0.000
Cl      4.049      0.000      0.000
C     0.5672      1.406      0.000
C     0.5964    -0.7988     -1.152
C     0.1338     -2.230     -1.146
H     0.2539    -0.5088     0.9757
H     0.1633      1.987     0.8611
H      1.688      1.338    0.08245
H     0.3024      1.938    -0.9439
H     0.3206    -0.3139     -2.124
H      1.724    -0.7485     -1.043
H    -0.9826     -2.284     -1.156
H     0.5268     -2.769     -2.041
H     0.5014     -2.754    -0.2305
O     -1.425 -8.101e-17  1.546e-16
H     -1.701     0.3715    -0.8217
16
HEAT OF FORMATION =   -120.159 KCAL =   -503.080 KJ; FOR REACTION COORDINATE =      4.10 DEG
C      0.000      0.000      0.000
Cl      4.099      0.000      0.000
C     0.5672      1.406      0.000
C     0.5958    -0.7985     -1.152
C     0.1338     -2.230     -1.145
H     0.2540    -0.5097     0.9752
H     0.1627      1.987     0.8609
H      1.688      1.339    0.08306
H     0.3028      1.938    -0.9441
H     0.3178    -0.3139     -2.124
H      1.723    -0.7480     -1.046
H    -0.9826     -2.284     -1.152
H     0.5255     -2.770     -2.040
H     0.5037     -2.753    -0.2294
O     -1.425 -8.100e-17  1.546e-16
H     -1.701     0.3743    -0.8202
