21
HEAT OF FORMATION = -42.20314 KCAL = -176.57795 KJ; FOR REACTION COORDINATE = -170.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5141 0.0000 0.0000
C 2.1257 1.3942 0.0000
C 1.5014 2.2814 1.0661
C -0.0108 2.2931 1.0040
C -0.5714 0.8907 1.0844
H 3.2209 1.2833 0.2501
H 1.8742 -0.5435 0.9142
H 1.8843 -0.5653 -0.8950
H -0.3797 0.3327 -1.0006
H -0.3633 -1.0459 0.1844
H 1.8265 1.9155 2.0761
H 1.8875 3.3278 0.9486
H -0.4147 2.9079 1.8503
H -0.3448 2.7765 0.0483
H -0.3329 0.4524 2.0893
H -1.6881 0.9254 0.9894
C 2.0338 2.0318 -1.3709
H 2.4987 3.0469 -1.3597
H 2.5679 1.4056 -2.1257
H 0.9683 2.1343 -1.6889
21
HEAT OF FORMATION = -41.66668 KCAL = -174.33337 KJ; FOR REACTION COORDINATE = -165.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5132 0.0000 0.0000
C 2.1573 1.3791 0.0000
C 1.4967 2.3392 0.9757
C -0.0113 2.3490 0.8677
C -0.5799 0.9575 1.0216
H 3.2310 1.2491 0.3234
H 1.8659 -0.5455 0.9172
H 1.8800 -0.5756 -0.8905
H -0.3837 0.2550 -1.0206
H -0.3577 -1.0286 0.2756
H 1.8085 2.0708 2.0194
H 1.8834 3.3762 0.7833
H -0.4361 3.0216 1.6581
H -0.3120 2.7694 -0.1283
H -0.3573 0.5768 2.0535
H -1.6951 0.9907 0.9091
C 2.1679 1.9609 -1.4005
H 2.6582 2.9640 -1.4030
H 2.7299 1.2908 -2.0948
H 1.1258 2.0743 -1.7853
21
HEAT OF FORMATION = -40.80506 KCAL = -170.72839 KJ; FOR REACTION COORDINATE = -160.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5137 0.0000 0.0000
C 2.1895 1.3652 0.0000
C 1.4866 2.3974 0.8669
C -0.0147 2.4009 0.7038
C -0.5914 1.0271 0.9439
H 3.2294 1.2243 0.4151
H 1.8594 -0.5489 0.9188
H 1.8761 -0.5858 -0.8861
H -0.3852 0.1689 -1.0373
H -0.3529 -1.0028 0.3650
H 1.7724 2.2339 1.9392
H 1.8780 3.4169 0.5977
H -0.4666 3.1316 1.4250
H -0.2791 2.7436 -0.3318
H -0.3869 0.7191 2.0036
H -1.7046 1.0556 0.8119
C 2.3315 1.8784 -1.4216
H 2.8604 2.8617 -1.4319
H 2.9181 1.1566 -2.0395
H 1.3265 2.0103 -1.8902
21
HEAT OF FORMATION = -39.75280 KCAL = -166.32573 KJ; FOR REACTION COORDINATE = -155.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5135 0.0000 0.0000
C 2.2176 1.3513 0.0000
C 1.4750 2.4586 0.7302
C -0.0171 2.4474 0.5064
C -0.6058 1.1000 0.8458
H 3.2103 1.2103 0.5182
H 1.8523 -0.5518 0.9209
H 1.8713 -0.5978 -0.8807
H -0.3840 0.0741 -1.0490
H -0.3507 -0.9682 0.4515
H 1.7217 2.4109 1.8234
H 1.8782 3.4489 0.3780
H -0.4962 3.2414 1.1372
H -0.2363 2.6925 -0.5669
H -0.4261 0.8788 1.9313
H -1.7159 1.1205 0.6882
C 2.5114 1.7805 -1.4280
H 3.0853 2.7383 -1.4391
H 3.1162 1.0017 -1.9519
H 1.5595 1.9298 -1.9920
21
HEAT OF FORMATION = -38.64365 KCAL = -161.68502 KJ; FOR REACTION COORDINATE = -150.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5140 0.0000 0.0000
C 2.2413 1.3391 0.0000
C 1.4634 2.5186 0.5638
C -0.0166 2.4797 0.2739
C -0.6207 1.1733 0.7266
H 3.1648 1.2133 0.6373
H 1.8492 -0.5566 0.9199
H 1.8652 -0.6052 -0.8789
H -0.3796 -0.0285 -1.0538
H -0.3510 -0.9251 0.5341
H 1.6584 2.5963 1.6659
H 1.8833 3.4659 0.1233
H -0.5219 3.3340 0.7960
H -0.1862 2.6112 -0.8278
H -0.4659 1.0553 1.8320
H -1.7269 1.1803 0.5420
C 2.7114 1.6669 -1.4089
H 3.3226 2.6014 -1.4104
H 3.3391 0.8379 -1.8156
H 1.8354 1.8142 -2.0852
21
HEAT OF FORMATION = -37.61670 KCAL = -157.38827 KJ; FOR REACTION COORDINATE = -145.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5149 0.0000 0.0000
C 2.2579 1.3335 0.0000
C 1.4477 2.5685 0.3655
C -0.0160 2.4873 0.0105
C -0.6310 1.2394 0.5928
H 3.0856 1.2467 0.7635
H 1.8502 -0.5610 0.9169
H 1.8595 -0.6092 -0.8793
H -0.3734 -0.1355 -1.0488
H -0.3533 -0.8740 0.6120
H 1.5764 2.7799 1.4604
H 1.8895 3.4595 -0.1618
H -0.5465 3.3947 0.4007
H -0.1345 2.4802 -1.1053
H -0.4941 1.2397 1.7064
H -1.7341 1.2271 0.3918
C 2.9229 1.5449 -1.3517
H 3.5596 2.4622 -1.3355
H 3.5726 0.6743 -1.6099
H 2.1511 1.6626 -2.1498
21
HEAT OF FORMATION = -36.81219 KCAL = -154.02221 KJ; FOR REACTION COORDINATE = -140.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5150 0.0000 0.0000
C 2.2666 1.3288 0.0000
C 1.4386 2.5989 0.1427
C -0.0071 2.4626 -0.2667
C -0.6409 1.2932 0.4456
H 2.9704 1.3033 0.8837
H 1.8533 -0.5666 0.9121
H 1.8531 -0.6095 -0.8824
H -0.3666 -0.2442 -1.0329
H -0.3571 -0.8161 0.6848
H 1.4935 2.9459 1.2098
H 1.9084 3.4157 -0.4707
H -0.5563 3.4079 -0.0184
H -0.0774 2.3136 -1.3765
H -0.5215 1.4195 1.5539
H -1.7405 1.2595 0.2289
C 3.1314 1.4228 -1.2477
H 3.7789 2.3318 -1.2058
H 3.7925 0.5270 -1.3339
H 2.4928 1.4841 -2.1612
21
HEAT OF FORMATION = -36.36247 KCAL = -152.14056 KJ; FOR REACTION COORDINATE = -135.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5156 0.0000 0.0000
C 2.2690 1.3283 0.0000
C 1.4483 2.6098 -0.0630
C 0.0204 2.4203 -0.5140
C -0.6390 1.3345 0.3026
H 2.8449 1.3700 0.9722
H 1.8603 -0.5728 0.9050
H 1.8493 -0.6035 -0.8890
H -0.3618 -0.3449 -1.0065
H -0.3638 -0.7512 0.7512
H 1.4458 3.0833 0.9560
H 1.9496 3.3434 -0.7504
H -0.5389 3.3852 -0.3987
H -0.0055 2.1448 -1.6018
H -0.5415 1.5704 1.3947
H -1.7343 1.2863 0.0672
C 3.2996 1.3232 -1.1181
H 3.9517 2.2272 -1.0506
H 3.9480 0.4168 -1.0469
H 2.7965 1.3228 -2.1146
21
HEAT OF FORMATION = -36.29683 KCAL = -151.86594 KJ; FOR REACTION COORDINATE = -130.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5160 0.0000 0.0000
C 2.2624 1.3313 0.0000
C 1.4537 2.5980 -0.2528
C 0.0415 2.3599 -0.7316
C -0.6407 1.3566 0.1685
H 2.7087 1.4459 1.0329
H 1.8674 -0.5758 0.8997
H 1.8488 -0.5960 -0.8948
H -0.3576 -0.4396 -0.9710
H -0.3672 -0.6820 0.8127
H 1.4054 3.1842 0.7050
H 1.9861 3.2453 -0.9998
H -0.5232 3.3284 -0.7283
H 0.0496 1.9791 -1.7864
H -0.5629 1.6920 1.2360
H -1.7314 1.2903 -0.0828
C 3.4264 1.2551 -0.9742
H 4.0688 2.1639 -0.8841
H 4.0543 0.3568 -0.7598
H 3.0557 1.1862 -2.0250
21
HEAT OF FORMATION = -36.55775 KCAL = -152.95761 KJ; FOR REACTION COORDINATE = -125.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5158 0.0000 0.0000
C 2.2546 1.3342 0.0000
C 1.4759 2.5711 -0.4313
C 0.0780 2.2897 -0.9294
C -0.6346 1.3692 0.0350
H 2.5719 1.5205 1.0697
H 1.8732 -0.5781 0.8952
H 1.8499 -0.5874 -0.9005
H -0.3545 -0.5281 -0.9276
H -0.3725 -0.6072 0.8672
H 1.3929 3.2603 0.4530
H 2.0427 3.1241 -1.2263
H -0.4836 3.2553 -1.0273
H 0.1154 1.8194 -1.9463
H -0.5852 1.7935 1.0717
H -1.7182 1.2866 -0.2414
C 3.5265 1.2035 -0.8199
H 4.1527 2.1218 -0.7131
H 4.1234 0.3260 -0.4728
H 3.2861 1.0633 -1.9012
21
HEAT OF FORMATION = -37.08535 KCAL = -155.16509 KJ; FOR REACTION COORDINATE = -120.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5160 0.0000 0.0000
C 2.2378 1.3429 0.0000
C 1.4976 2.5277 -0.6088
C 0.1169 2.1956 -1.1272
C -0.6280 1.3688 -0.1039
H 2.4177 1.6063 1.0851
H 1.8795 -0.5768 0.8929
H 1.8549 -0.5784 -0.9042
H -0.3510 -0.6143 -0.8750
H -0.3774 -0.5282 0.9149
H 1.3782 3.3128 0.1869
H 2.1038 2.9799 -1.4367
H -0.4414 3.1445 -1.3385
H 0.1904 1.6271 -2.0910
H -0.6007 1.8856 0.8909
H -1.7050 1.2673 -0.3985
C 3.5994 1.1792 -0.6509
H 4.1973 2.1155 -0.5378
H 4.1596 0.3403 -0.1721
H 3.4929 0.9571 -1.7399
21
HEAT OF FORMATION = -37.77283 KCAL = -158.04152 KJ; FOR REACTION COORDINATE = -115.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5159 0.0000 0.0000
C 2.2118 1.3548 0.0000
C 1.5236 2.4678 -0.7812
C 0.1624 2.0820 -1.3168
C -0.6197 1.3554 -0.2434
H 2.2472 1.6937 1.0780
H 1.8837 -0.5728 0.8932
H 1.8623 -0.5691 -0.9065
H -0.3482 -0.6947 -0.8146
H -0.3827 -0.4454 0.9552
H 1.3697 3.3387 -0.0870
H 2.1729 2.8143 -1.6259
H -0.3865 3.0024 -1.6450
H 0.2712 1.4196 -2.2152
H -0.6154 1.9595 0.7014
H -1.6885 1.2324 -0.5573
C 3.6449 1.1850 -0.4675
H 4.2017 2.1472 -0.3626
H 4.1623 0.4061 0.1428
H 3.6773 0.8729 -1.5391
21
HEAT OF FORMATION = -38.52228 KCAL = -161.17721 KJ; FOR REACTION COORDINATE = -110.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5152 0.0000 0.0000
C 2.1913 1.3638 0.0000
C 1.5590 2.4048 -0.9170
C 0.2068 1.9885 -1.4561
C -0.6084 1.3352 -0.3606
H 2.1095 1.7636 1.0538
H 1.8853 -0.5710 0.8929
H 1.8671 -0.5621 -0.9084
H -0.3480 -0.7616 -0.7521
H -0.3860 -0.3600 0.9890
H 1.3986 3.3436 -0.3202
H 2.2438 2.6483 -1.7690
H -0.3306 2.8882 -1.8532
H 0.3345 1.2702 -2.3077
H -0.6338 2.0042 0.5390
H -1.6666 1.1897 -0.7003
C 3.6650 1.2010 -0.3161
H 4.1887 2.1835 -0.2326
H 4.1379 0.4836 0.3970
H 3.8069 0.8122 -1.3533
21
HEAT OF FORMATION = -39.24876 KCAL = -164.21680 KJ; FOR REACTION COORDINATE = -105.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5159 0.0000 0.0000
C 2.1690 1.3738 0.0000
C 1.5886 2.3450 -1.0213
C 0.2445 1.9076 -1.5651
C -0.5977 1.3122 -0.4563
H 1.9907 1.8198 1.0223
H 1.8873 -0.5682 0.8937
H 1.8732 -0.5567 -0.9089
H -0.3520 -0.8155 -0.6894
H -0.3852 -0.2725 1.0170
H 1.4396 3.3371 -0.5156
H 2.3035 2.4949 -1.8708
H -0.2815 2.7870 -2.0191
H 0.3869 1.1462 -2.3762
H -0.6473 2.0315 0.4028
H -1.6462 1.1458 -0.8149
C 3.6655 1.2321 -0.1896
H 4.1579 2.2327 -0.1371
H 4.0975 0.5796 0.6070
H 3.8969 0.7759 -1.1824
21
HEAT OF FORMATION = -39.88171 KCAL = -166.86509 KJ; FOR REACTION COORDINATE = -100.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5156 0.0000 0.0000
C 2.1350 1.3888 0.0000
C 1.6115 2.2872 -1.1137
C 0.2798 1.8233 -1.6678
C -0.5949 1.2725 -0.5625
H 1.8579 1.8724 0.9821
H 1.8897 -0.5623 0.8956
H 1.8808 -0.5504 -0.9086
H -0.3524 -0.8704 -0.6178
H -0.3845 -0.1829 1.0371
H 1.4762 3.3216 -0.6983
H 2.3583 2.3512 -1.9469
H -0.2366 2.6820 -2.1704
H 0.4424 1.0294 -2.4430
H -0.6928 2.0396 0.2500
H -1.6247 1.0673 -0.9541
C 3.6447 1.2861 -0.0621
H 4.1027 2.3040 -0.0342
H 4.0294 0.6985 0.8061
H 3.9689 0.7785 -1.0025
21
HEAT OF FORMATION = -40.33751 KCAL = -168.77216 KJ; FOR REACTION COORDINATE = -95.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5162 0.0000 0.0000
C 2.1055 1.4023 0.0000
C 1.6431 2.2197 -1.2005
C 0.3202 1.7356 -1.7607
C -0.5853 1.2335 -0.6556
H 1.7390 1.9214 0.9322
H 1.8916 -0.5571 0.8978
H 1.8882 -0.5454 -0.9078
H -0.3562 -0.9141 -0.5467
H -0.3824 -0.0919 1.0499
H 1.5291 3.2889 -0.8792
H 2.4188 2.1918 -2.0092
H -0.1799 2.5712 -2.3155
H 0.5000 0.9073 -2.4954
H -0.7186 2.0433 0.1092
H -1.5990 0.9964 -1.0706
C 3.6169 1.3398 0.0553
H 4.0464 2.3705 0.0506
H 3.9504 0.8189 0.9849
H 4.0218 0.7840 -0.8246
21
HEAT OF FORMATION = -40.54254 KCAL = -169.63000 KJ; FOR REACTION COORDINATE = -90.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5166 0.0000 0.0000
C 2.0800 1.4122 0.0000
C 1.6853 2.1547 -1.2713
C 0.3622 1.6701 -1.8333
C -0.5714 1.1939 -0.7416
H 1.6350 1.9601 0.8792
H 1.8929 -0.5537 0.8991
H 1.8939 -0.5419 -0.9070
H -0.3622 -0.9489 -0.4763
H -0.3807 0.0000 1.0545
H 1.6080 3.2490 -1.0373
H 2.4830 2.0343 -2.0497
H -0.1250 2.4985 -2.4106
H 0.5455 0.8274 -2.5511
H -0.7501 2.0340 -0.0197
H -1.5632 0.9213 -1.1868
C 3.5840 1.3900 0.1628
H 3.9915 2.4290 0.1306
H 3.8623 0.9284 1.1407
H 4.0607 0.7972 -0.6549
21
HEAT OF FORMATION = -40.32143 KCAL = -168.70486 KJ; FOR REACTION COORDINATE = 145.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5152 0.0000 0.0000
C 2.0538 1.4223 0.0000
C 1.7032 2.1134 -1.3099
C 0.3575 1.6805 -1.8589
C -0.5835 1.1534 -0.7945
H 1.5578 1.9834 0.8425
H 1.8928 -0.5499 0.9006
H 1.8975 -0.5379 -0.9068
H -0.3630 -0.9733 -0.4233
H -0.3766 0.0574 1.0551
H 1.7067 3.2225 -1.1424
H 2.4958 1.8963 -2.0738
H -0.1344 2.5546 -2.3620
H 0.5111 0.8848 -2.6344
H -0.8515 1.9893 -0.0967
H -1.5269 0.8151 -1.2994
C 3.5489 1.4350 0.2294
H 3.9386 2.4803 0.1818
H 3.7915 1.0103 1.2331
H 4.0721 0.8261 -0.5468
21
HEAT OF FORMATION = -39.83691 KCAL = -166.67765 KJ; FOR REACTION COORDINATE = 140.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5143 0.0000 0.0000
C 2.0378 1.4287 0.0000
C 1.7165 2.0870 -1.3330
C 0.3627 1.6805 -1.8809
C -0.5905 1.1097 -0.8484
H 1.5110 1.9972 0.8177
H 1.8934 -0.5470 0.9015
H 1.9003 -0.5360 -0.9058
H -0.3624 -0.9947 -0.3717
H -0.3728 0.1090 1.0527
H 1.7553 3.2005 -1.2018
H 2.5085 1.8202 -2.0819
H -0.1338 2.5799 -2.3345
H 0.5086 0.9236 -2.6959
H -0.9430 1.9383 -0.1799
H -1.4822 0.7122 -1.4033
C 3.5253 1.4629 0.2708
H 3.9048 2.5116 0.2169
H 3.7443 1.0567 1.2876
H 4.0774 0.8481 -0.4806
21
HEAT OF FORMATION = -39.18808 KCAL = -163.96294 KJ; FOR REACTION COORDINATE = 135.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5128 0.0000 0.0000
C 2.0227 1.4329 0.0000
C 1.7295 2.0604 -1.3531
C 0.3663 1.6838 -1.9006
C -0.5955 1.0633 -0.9039
H 1.4688 2.0087 0.7941
H 1.8922 -0.5447 0.9028
H 1.9005 -0.5355 -0.9052
H -0.3632 -1.0131 -0.3174
H -0.3698 0.1633 1.0470
H 1.8056 3.1756 -1.2566
H 2.5182 1.7442 -2.0864
H -0.1317 2.6078 -2.3009
H 0.5036 0.9727 -2.7577
H -1.0349 1.8774 -0.2696
H -1.4295 0.6064 -1.5020
C 3.5022 1.4868 0.3084
H 3.8723 2.5385 0.2475
H 3.6987 1.0991 1.3369
H 4.0797 0.8659 -0.4184
21
HEAT OF FORMATION = -38.50588 KCAL = -161.10858 KJ; FOR REACTION COORDINATE = 130.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5118 0.0000 0.0000
C 2.0243 1.4314 0.0000
C 1.7273 2.0620 -1.3497
C 0.3494 1.7281 -1.8863
C -0.6057 1.0292 -0.9349
H 1.4761 2.0069 0.7983
H 1.8888 -0.5453 0.9039
H 1.9009 -0.5381 -0.9032
H -0.3628 -1.0238 -0.2816
H -0.3681 0.1979 1.0420
H 1.8339 3.1755 -1.2554
H 2.4985 1.7255 -2.0926
H -0.1551 2.6837 -2.1967
H 0.4667 1.0945 -2.8053
H -1.1339 1.8060 -0.3211
H -1.3770 0.5222 -1.5767
C 3.5055 1.4817 0.3011
H 3.8765 2.5332 0.2402
H 3.7060 1.0914 1.3276
H 4.0780 0.8614 -0.4300
21
HEAT OF FORMATION = -37.88157 KCAL = -158.49648 KJ; FOR REACTION COORDINATE = 125.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5111 0.0000 0.0000
C 2.0210 1.4321 0.0000
C 1.7119 2.0664 -1.3443
C 0.3174 1.7770 -1.8622
C -0.6209 0.9920 -0.9631
H 1.4790 2.0039 0.8053
H 1.8891 -0.5441 0.9040
H 1.9014 -0.5362 -0.9037
H -0.3618 -1.0344 -0.2436
H -0.3612 0.2296 1.0386
H 1.8576 3.1761 -1.2588
H 2.4620 1.7015 -2.0967
H -0.1920 2.7560 -2.0781
H 0.4118 1.2317 -2.8395
H -1.2381 1.7195 -0.3707
H -1.3250 0.4377 -1.6422
C 3.5051 1.4832 0.2880
H 3.8727 2.5364 0.2408
H 3.7175 1.0776 1.3064
H 4.0730 0.8765 -0.4581
21
HEAT OF FORMATION = -37.42852 KCAL = -156.60092 KJ; FOR REACTION COORDINATE = 120.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5099 0.0000 0.0000
C 2.0240 1.4296 0.0000
C 1.7045 2.0709 -1.3373
C 0.2911 1.8299 -1.8281
C -0.6285 0.9627 -0.9875
H 1.4923 2.0009 0.8126
H 1.8868 -0.5436 0.9052
H 1.9005 -0.5390 -0.9019
H -0.3625 -1.0410 -0.2140
H -0.3583 0.2576 1.0334
H 1.8892 3.1754 -1.2599
H 2.4266 1.6778 -2.1033
H -0.2172 2.8262 -1.9465
H 0.3552 1.3806 -2.8563
H -1.3277 1.6349 -0.4204
H -1.2609 0.3708 -1.7049
C 3.5109 1.4743 0.2736
H 3.8831 2.5259 0.2234
H 3.7299 1.0681 1.2904
H 4.0696 0.8649 -0.4771
21
HEAT OF FORMATION = -37.23374 KCAL = -155.78597 KJ; FOR REACTION COORDINATE = 115.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5097 0.0000 0.0000
C 2.0299 1.4260 0.0000
C 1.6981 2.0767 -1.3303
C 0.2676 1.8790 -1.7896
C -0.6295 0.9306 -1.0164
H 1.5130 1.9965 0.8225
H 1.8850 -0.5448 0.9052
H 1.8984 -0.5408 -0.9021
H -0.3642 -1.0463 -0.1809
H -0.3559 0.2904 1.0258
H 1.9162 3.1755 -1.2596
H 2.3911 1.6607 -2.1111
H -0.2377 2.8837 -1.8072
H 0.2994 1.5325 -2.8595
H -1.4088 1.5425 -0.4843
H -1.1865 0.3064 -1.7681
C 3.5211 1.4620 0.2536
H 3.8963 2.5128 0.2107
H 3.7524 1.0420 1.2620
H 4.0665 0.8600 -0.5127
21
HEAT OF FORMATION = -37.34388 KCAL = -156.24681 KJ; FOR REACTION COORDINATE = 110.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5093 0.0000 0.0000
C 2.0342 1.4231 0.0000
C 1.6866 2.0836 -1.3213
C 0.2407 1.9247 -1.7456
C -0.6295 0.9011 -1.0431
H 1.5308 1.9914 0.8327
H 1.8836 -0.5458 0.9053
H 1.8971 -0.5421 -0.9019
H -0.3667 -1.0501 -0.1505
H -0.3535 0.3216 1.0175
H 1.9340 3.1764 -1.2574
H 2.3502 1.6492 -2.1178
H -0.2608 2.9277 -1.6614
H 0.2378 1.6816 -2.8448
H -1.4789 1.4497 -0.5491
H -1.1077 0.2513 -1.8262
C 3.5289 1.4516 0.2337
H 3.9080 2.5010 0.1947
H 3.7724 1.0221 1.2353
H 4.0617 0.8544 -0.5452
21
HEAT OF FORMATION = -37.76225 KCAL = -157.99724 KJ; FOR REACTION COORDINATE = 105.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5091 0.0000 0.0000
C 2.0371 1.4217 0.0000
C 1.6690 2.0930 -1.3101
C 0.2096 1.9686 -1.6959
C -0.6268 0.8743 -1.0658
H 1.5504 1.9855 0.8455
H 1.8827 -0.5453 0.9060
H 1.8963 -0.5438 -0.9012
H -0.3682 -1.0529 -0.1258
H -0.3536 0.3474 1.0090
H 1.9423 3.1799 -1.2535
H 2.3002 1.6429 -2.1243
H -0.2882 2.9596 -1.5088
H 0.1697 1.8294 -2.8128
H -1.5378 1.3576 -0.6135
H -1.0242 0.2075 -1.8794
C 3.5359 1.4437 0.2072
H 3.9164 2.4929 0.1767
H 3.7964 0.9991 1.1978
H 4.0531 0.8567 -0.5898
21
HEAT OF FORMATION = -38.43867 KCAL = -160.82738 KJ; FOR REACTION COORDINATE = 100.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5092 0.0000 0.0000
C 2.0386 1.4218 0.0000
C 1.6454 2.1049 -1.2967
C 0.1742 2.0107 -1.6403
C -0.6222 0.8515 -1.0858
H 1.5707 1.9795 0.8594
H 1.8825 -0.5436 0.9074
H 1.8958 -0.5443 -0.9009
H -0.3687 -1.0552 -0.1047
H -0.3553 0.3699 1.0002
H 1.9413 3.1861 -1.2478
H 2.2412 1.6419 -2.1302
H -0.3192 2.9790 -1.3506
H 0.0937 1.9749 -2.7636
H -1.5864 1.2684 -0.6786
H -0.9368 0.1763 -1.9289
C 3.5417 1.4387 0.1766
H 3.9215 2.4884 0.1591
H 3.8218 0.9744 1.1524
H 4.0410 0.8666 -0.6420
21
HEAT OF FORMATION = -39.34383 KCAL = -164.61458 KJ; FOR REACTION COORDINATE = 95.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5100 0.0000 0.0000
C 2.0480 1.4182 0.0000
C 1.6347 2.1268 -1.2774
C 0.1504 2.0601 -1.5643
C -0.6128 0.8416 -1.0982
H 1.6013 1.9692 0.8758
H 1.8837 -0.5463 0.9054
H 1.8936 -0.5451 -0.9022
H -0.3725 -1.0541 -0.0952
H -0.3556 0.3829 0.9951
H 1.9502 3.2020 -1.2221
H 2.1958 1.6650 -2.1346
H -0.3309 2.9933 -1.1631
H 0.0208 2.1334 -2.6815
H -1.6212 1.1903 -0.7356
H -0.8415 0.1728 -1.9721
C 3.5542 1.4228 0.1468
H 3.9427 2.4693 0.1284
H 3.8511 0.9499 1.1136
H 4.0332 0.8535 -0.6859
21
HEAT OF FORMATION = -40.35452 KCAL = -168.84331 KJ; FOR REACTION COORDINATE = 90.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5112 0.0000 0.0000
C 2.0595 1.4143 0.0000
C 1.6122 2.1552 -1.2480
C 0.1173 2.1134 -1.4750
C -0.6059 0.8401 -1.1023
H 1.6479 1.9536 0.9002
H 1.8841 -0.5477 0.9049
H 1.8913 -0.5464 -0.9030
H -0.3725 -1.0540 -0.0955
H -0.3573 0.3861 0.9930
H 1.9456 3.2242 -1.1835
H 2.1318 1.7019 -2.1351
H -0.3481 2.9962 -0.9588
H -0.0642 2.2976 -2.5720
H -1.6495 1.1213 -0.7838
H -0.7491 0.1914 -2.0085
C 3.5701 1.4034 0.0962
H 3.9663 2.4472 0.0954
H 3.8952 0.8993 1.0379
H 4.0161 0.8558 -0.7689
21
HEAT OF FORMATION = -41.37230 KCAL = -173.10169 KJ; FOR REACTION COORDINATE = 85.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5113 0.0000 0.0000
C 2.0723 1.4091 0.0000
C 1.5935 2.1818 -1.2164
C 0.0906 2.1580 -1.3850
C -0.5957 0.8416 -1.1069
H 1.6963 1.9369 0.9229
H 1.8841 -0.5498 0.9039
H 1.8879 -0.5485 -0.9037
H -0.3729 -1.0535 -0.0969
H -0.3601 0.3885 0.9907
H 1.9394 3.2459 -1.1401
H 2.0742 1.7421 -2.1316
H -0.3558 2.9776 -0.7602
H -0.1406 2.4463 -2.4493
H -1.6665 1.0622 -0.8367
H -0.6525 0.2210 -2.0412
C 3.5852 1.3809 0.0467
H 3.9923 2.4205 0.0557
H 3.9350 0.8535 0.9666
H 3.9973 0.8478 -0.8439
21
HEAT OF FORMATION = -42.31913 KCAL = -177.06324 KJ; FOR REACTION COORDINATE = 80.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5122 0.0000 0.0000
C 2.0739 1.4095 0.0000
C 1.5685 2.1953 -1.1984
C 0.0615 2.1814 -1.3163
C -0.5869 0.8321 -1.1175
H 1.7201 1.9283 0.9364
H 1.8855 -0.5483 0.9044
H 1.8882 -0.5484 -0.9039
H -0.3725 -1.0543 -0.0884
H -0.3621 0.3988 0.9857
H 1.9250 3.2560 -1.1225
H 2.0178 1.7587 -2.1303
H -0.3676 2.9363 -0.6048
H -0.2119 2.5513 -2.3442
H -1.6789 0.9976 -0.8995
H -0.5583 0.2364 -2.0688
C 3.5874 1.3788 0.0114
H 3.9969 2.4176 0.0281
H 3.9577 0.8354 0.9136
H 3.9787 0.8577 -0.8953
21
HEAT OF FORMATION = -43.10353 KCAL = -180.34517 KJ; FOR REACTION COORDINATE = 75.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5130 0.0000 0.0000
C 2.0658 1.4157 0.0000
C 1.5435 2.1956 -1.1960
C 0.0330 2.1871 -1.2756
C -0.5790 0.8125 -1.1373
H 1.7127 1.9312 0.9382
H 1.8883 -0.5473 0.9037
H 1.8900 -0.5458 -0.9047
H -0.3729 -1.0553 -0.0709
H -0.3658 0.4184 0.9756
H 1.9073 3.2546 -1.1364
H 1.9672 1.7486 -2.1347
H -0.3812 2.8822 -0.4980
H -0.2747 2.6158 -2.2686
H -1.6847 0.9277 -0.9713
H -0.4661 0.2375 -2.0945
C 3.5790 1.3969 0.0009
H 3.9800 2.4388 0.0196
H 3.9596 0.8529 0.8985
H 3.9674 0.8855 -0.9127
21
HEAT OF FORMATION = -43.61328 KCAL = -182.47797 KJ; FOR REACTION COORDINATE = 70.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5137 0.0000 0.0000
C 2.0569 1.4206 0.0000
C 1.5349 2.1849 -1.2075
C 0.0219 2.1800 -1.2586
C -0.5579 0.7855 -1.1682
H 1.6902 1.9395 0.9309
H 1.8908 -0.5456 0.9036
H 1.8917 -0.5440 -0.9049
H -0.3753 -1.0554 -0.0455
H -0.3707 0.4471 0.9602
H 1.9069 3.2417 -1.1708
H 1.9423 1.7175 -2.1427
H -0.3793 2.8191 -0.4283
H -0.3131 2.6529 -2.2203
H -1.6731 0.8588 -1.0633
H -0.3573 0.2257 -2.1196
C 3.5695 1.4145 0.0149
H 3.9617 2.4597 0.0335
H 3.9464 0.8772 0.9183
H 3.9704 0.9028 -0.8931
21
HEAT OF FORMATION = -43.78524 KCAL = -183.19746 KJ; FOR REACTION COORDINATE = 66.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5143 0.0000 0.0000
C 2.0688 1.4173 0.0000
C 1.5183 2.1997 -1.1843
C 0.0036 2.1981 -1.1925
C -0.5500 0.7884 -1.1706
H 1.7359 1.9275 0.9478
H 1.8910 -0.5470 0.9030
H 1.8896 -0.5454 -0.9055
H -0.3735 -1.0559 -0.0489
H -0.3738 0.4453 0.9593
H 1.8927 3.2554 -1.1408
H 1.8994 1.7457 -2.1366
H -0.3768 2.7651 -0.3028
H -0.3642 2.7301 -2.1087
H -1.6686 0.8251 -1.1069
H -0.2849 0.2689 -2.1288
C 3.5813 1.3971 -0.0327
H 3.9837 2.4383 -0.0106
H 3.9806 0.8421 0.8501
H 3.9487 0.8958 -0.9605
