18
HEAT OF FORMATION = -38.59443 KCAL = -161.47910 KJ; FOR REACTION COORDINATE = -176.55290 DEG
C 0.0000 0.0000 0.0000
C 1.5158 0.0000 0.0000
C 2.0591 1.4144 0.0000
C 1.5171 2.2065 1.1728
C 0.0013 2.2193 1.1610
C -0.5553 0.8094 1.1544
H 3.1787 1.3865 0.0508
H 1.8900 -0.5445 0.9063
H 1.8916 -0.5483 -0.9024
H -0.3710 0.4307 -0.9674
H -0.3761 -1.0540 0.0635
H 1.8698 1.7417 2.1311
H 1.9069 3.2559 1.1353
H -0.3773 2.7684 2.0618
H -0.3611 2.7691 0.2531
H -0.2976 0.3033 2.1219
H -1.6733 0.8476 1.0818
H 1.7779 1.9242 -0.9586
18
HEAT OF FORMATION = -38.34625 KCAL = -160.44071 KJ; FOR REACTION COORDINATE = -170.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5142 0.0000 0.0000
C 2.1041 1.3951 0.0000
C 1.5080 2.2796 1.0740
C -0.0041 2.2924 1.0153
C -0.5666 0.8896 1.0886
H 3.2140 1.3278 0.1453
H 1.8780 -0.5488 0.9096
H 1.8862 -0.5593 -0.8980
H -0.3795 0.3358 -0.9991
H -0.3658 -1.0450 0.1843
H 1.8512 1.9295 2.0828
H 1.8921 3.3262 0.9451
H -0.4074 2.9010 1.8664
H -0.3372 2.7799 0.0617
H -0.3264 0.4464 2.0911
H -1.6832 0.9267 0.9963
H 1.9264 1.8677 -1.0028
18
HEAT OF FORMATION = -37.72036 KCAL = -157.82199 KJ; FOR REACTION COORDINATE = -165.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5138 0.0000 0.0000
C 2.1364 1.3811 0.0000
C 1.4968 2.3420 0.9775
C -0.0110 2.3507 0.8663
C -0.5781 0.9584 1.0224
H 3.2300 1.2890 0.2320
H 1.8701 -0.5521 0.9117
H 1.8830 -0.5676 -0.8944
H -0.3840 0.2546 -1.0204
H -0.3598 -1.0279 0.2754
H 1.8192 2.0915 2.0218
H 1.8837 3.3765 0.7704
H -0.4419 3.0253 1.6512
H -0.3077 2.7648 -0.1337
H -0.3513 0.5800 2.0544
H -1.6935 0.9890 0.9140
H 2.0526 1.8133 -1.0338
18
HEAT OF FORMATION = -36.83616 KCAL = -154.12251 KJ; FOR REACTION COORDINATE = -160.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5138 0.0000 0.0000
C 2.1670 1.3663 0.0000
C 1.4865 2.4059 0.8617
C -0.0149 2.4083 0.6962
C -0.5905 1.0333 0.9378
H 3.2342 1.2568 0.3292
H 1.8633 -0.5566 0.9126
H 1.8788 -0.5753 -0.8917
H -0.3842 0.1649 -1.0385
H -0.3564 -1.0014 0.3645
H 1.7786 2.2631 1.9347
H 1.8818 3.4185 0.5722
H -0.4699 3.1412 1.4128
H -0.2749 2.7458 -0.3416
H -0.3859 0.7299 1.9987
H -1.7036 1.0612 0.8054
H 2.1885 1.7481 -1.0576
18
HEAT OF FORMATION = -35.80020 KCAL = -149.78803 KJ; FOR REACTION COORDINATE = -155.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5133 0.0000 0.0000
C 2.1947 1.3527 0.0000
C 1.4718 2.4689 0.7200
C -0.0206 2.4536 0.4931
C -0.6067 1.1056 0.8382
H 3.2198 1.2374 0.4430
H 1.8573 -0.5602 0.9134
H 1.8752 -0.5830 -0.8886
H -0.3829 0.0695 -1.0501
H -0.3534 -0.9673 0.4510
H 1.7196 2.4420 1.8133
H 1.8792 3.4491 0.3460
H -0.5036 3.2488 1.1194
H -0.2381 2.6932 -0.5813
H -0.4266 0.8911 1.9251
H -1.7167 1.1235 0.6797
H 2.3377 1.6702 -1.0702
18
HEAT OF FORMATION = -34.71743 KCAL = -145.25772 KJ; FOR REACTION COORDINATE = -150.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5139 0.0000 0.0000
C 2.2198 1.3416 0.0000
C 1.4578 2.5262 0.5519
C -0.0224 2.4826 0.2631
C -0.6199 1.1759 0.7229
H 3.1834 1.2374 0.5669
H 1.8537 -0.5644 0.9128
H 1.8707 -0.5890 -0.8871
H -0.3790 -0.0313 -1.0541
H -0.3529 -0.9244 0.5337
H 1.6505 2.6212 1.6531
H 1.8842 3.4612 0.0932
H -0.5323 3.3367 0.7804
H -0.1944 2.6067 -0.8389
H -0.4610 1.0634 1.8283
H -1.7266 1.1803 0.5426
H 2.5004 1.5823 -1.0632
18
HEAT OF FORMATION = -33.69361 KCAL = -140.97405 KJ; FOR REACTION COORDINATE = -145.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5144 0.0000 0.0000
C 2.2402 1.3325 0.0000
C 1.4488 2.5715 0.3574
C -0.0168 2.4908 0.0086
C -0.6293 1.2413 0.5919
H 3.1179 1.2588 0.6971
H 1.8532 -0.5693 0.9103
H 1.8661 -0.5932 -0.8869
H -0.3738 -0.1353 -1.0487
H -0.3554 -0.8734 0.6115
H 1.5763 2.7947 1.4503
H 1.8998 3.4477 -0.1848
H -0.5468 3.3968 0.4032
H -0.1423 2.4860 -1.1062
H -0.4902 1.2427 1.7053
H -1.7331 1.2287 0.3927
H 2.6683 1.4871 -1.0296
18
HEAT OF FORMATION = -32.86477 KCAL = -137.50619 KJ; FOR REACTION COORDINATE = -140.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5154 0.0000 0.0000
C 2.2491 1.3280 0.0000
C 1.4499 2.6012 0.1761
C -0.0007 2.4792 -0.2208
C -0.6323 1.2919 0.4657
H 3.0359 1.2959 0.8017
H 1.8557 -0.5742 0.9065
H 1.8627 -0.5932 -0.8892
H -0.3701 -0.2333 -1.0332
H -0.3593 -0.8155 0.6842
H 1.5287 2.9469 1.2415
H 1.9263 3.4104 -0.4423
H -0.5463 3.4182 0.0585
H -0.0834 2.3608 -1.3332
H -0.5126 1.3949 1.5765
H -1.7325 1.2653 0.2496
H 2.8041 1.4072 -0.9763
18
HEAT OF FORMATION = -32.30529 KCAL = -135.16535 KJ; FOR REACTION COORDINATE = -135.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5153 0.0000 0.0000
C 2.2545 1.3254 0.0000
C 1.4506 2.6085 -0.0029
C 0.0141 2.4458 -0.4351
C -0.6379 1.3268 0.3410
H 2.9371 1.3478 0.8929
H 1.8591 -0.5783 0.9021
H 1.8590 -0.5911 -0.8926
H -0.3678 -0.3282 -1.0084
H -0.3600 -0.7527 0.7527
H 1.4855 3.0680 1.0215
H 1.9525 3.3455 -0.6874
H -0.5385 3.4065 -0.2639
H -0.0347 2.2210 -1.5328
H -0.5384 1.5274 1.4405
H -1.7335 1.2846 0.1058
H 2.9267 1.3378 -0.9025
18
HEAT OF FORMATION = -32.08211 KCAL = -134.23155 KJ; FOR REACTION COORDINATE = -130.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5160 0.0000 0.0000
C 2.2534 1.3263 0.0000
C 1.4620 2.5999 -0.2167
C 0.0456 2.3808 -0.6915
C -0.6373 1.3571 0.1858
H 2.7990 1.4237 0.9785
H 1.8656 -0.5818 0.8969
H 1.8566 -0.5863 -0.8975
H -0.3611 -0.4315 -0.9725
H -0.3673 -0.6820 0.8128
H 1.4347 3.1806 0.7450
H 2.0013 3.2447 -0.9613
H -0.5150 3.3511 -0.6606
H 0.0461 2.0268 -1.7557
H -0.5637 1.6733 1.2594
H -1.7270 1.2952 -0.0705
H 3.0502 1.2702 -0.7922
18
HEAT OF FORMATION = -32.18014 KCAL = -134.64170 KJ; FOR REACTION COORDINATE = -125.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5159 0.0000 0.0000
C 2.2428 1.3316 0.0000
C 1.4804 2.5690 -0.4305
C 0.0829 2.2910 -0.9343
C -0.6331 1.3704 0.0284
H 2.6332 1.5152 1.0389
H 1.8726 -0.5831 0.8924
H 1.8561 -0.5783 -0.9032
H -0.3541 -0.5302 -0.9268
H -0.3745 -0.6066 0.8663
H 1.3938 3.2621 0.4503
H 2.0601 3.1117 -1.2221
H -0.4786 3.2561 -1.0332
H 0.1235 1.8190 -1.9503
H -0.5847 1.7972 1.0644
H -1.7163 1.2884 -0.2494
H 3.1493 1.2241 -0.6562
18
HEAT OF FORMATION = -32.54234 KCAL = -136.15714 KJ; FOR REACTION COORDINATE = -120.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5163 0.0000 0.0000
C 2.2281 1.3379 0.0000
C 1.5071 2.5259 -0.6069
C 0.1296 2.1951 -1.1355
C -0.6244 1.3700 -0.1161
H 2.4800 1.5973 1.0653
H 1.8780 -0.5820 0.8905
H 1.8583 -0.5718 -0.9067
H -0.3499 -0.6181 -0.8732
H -0.3804 -0.5275 0.9136
H 1.3848 3.3144 0.1848
H 2.1266 2.9687 -1.4291
H -0.4266 3.1432 -1.3548
H 0.2109 1.6239 -2.0970
H -0.6068 1.8890 0.8778
H -1.6988 1.2681 -0.4207
H 3.2108 1.2026 -0.5280
18
HEAT OF FORMATION = -33.09095 KCAL = -138.45251 KJ; FOR REACTION COORDINATE = -115.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5158 0.0000 0.0000
C 2.2085 1.3479 0.0000
C 1.5269 2.4759 -0.7496
C 0.1630 2.1079 -1.2900
C -0.6207 1.3567 -0.2359
H 2.3381 1.6715 1.0694
H 1.8819 -0.5789 0.8901
H 1.8616 -0.5654 -0.9090
H -0.3490 -0.6923 -0.8159
H -0.3822 -0.4455 0.9555
H 1.3897 3.3414 -0.0457
H 2.1795 2.8262 -1.5905
H -0.3859 3.0381 -1.5893
H 0.2686 1.4700 -2.2059
H -0.6299 1.9491 0.7165
H -1.6859 1.2327 -0.5624
H 3.2430 1.2054 -0.4137
18
HEAT OF FORMATION = -33.72467 KCAL = -141.10403 KJ; FOR REACTION COORDINATE = -110.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5168 0.0000 0.0000
C 2.1897 1.3569 0.0000
C 1.5591 2.4194 -0.8796
C 0.2045 2.0186 -1.4249
C -0.6080 1.3408 -0.3428
H 2.2035 1.7393 1.0573
H 1.8851 -0.5753 0.8910
H 1.8667 -0.5600 -0.9103
H -0.3514 -0.7551 -0.7559
H -0.3853 -0.3602 0.9895
H 1.4172 3.3520 -0.2691
H 2.2444 2.6725 -1.7291
H -0.3346 2.9262 -1.8013
H 0.3303 1.3187 -2.2922
H -0.6367 1.9939 0.5685
H -1.6654 1.1998 -0.6863
H 3.2619 1.2163 -0.3019
18
HEAT OF FORMATION = -34.36118 KCAL = -143.76717 KJ; FOR REACTION COORDINATE = -105.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5163 0.0000 0.0000
C 2.1637 1.3681 0.0000
C 1.5921 2.3547 -0.9998
C 0.2489 1.9240 -1.5527
C -0.5984 1.3116 -0.4583
H 2.0613 1.8052 1.0305
H 1.8873 -0.5716 0.8916
H 1.8715 -0.5546 -0.9110
H -0.3515 -0.8168 -0.6882
H -0.3853 -0.2725 1.0169
H 1.4509 3.3438 -0.4866
H 2.3107 2.5094 -1.8450
H -0.2770 2.8089 -1.9957
H 0.3962 1.1752 -2.3744
H -0.6644 2.0248 0.4047
H -1.6409 1.1396 -0.8320
H 3.2629 1.2427 -0.1889
18
HEAT OF FORMATION = -34.90759 KCAL = -146.05335 KJ; FOR REACTION COORDINATE = -100.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5165 0.0000 0.0000
C 2.1308 1.3836 0.0000
C 1.6209 2.2852 -1.1086
C 0.2890 1.8242 -1.6677
C -0.5896 1.2751 -0.5638
H 1.9143 1.8682 0.9900
H 1.8899 -0.5650 0.8942
H 1.8791 -0.5497 -0.9102
H -0.3537 -0.8692 -0.6186
H -0.3851 -0.1828 1.0367
H 1.4843 3.3202 -0.6950
H 2.3725 2.3450 -1.9367
H -0.2238 2.6824 -2.1741
H 0.4543 1.0293 -2.4414
H -0.6867 2.0420 0.2490
H -1.6192 1.0739 -0.9576
H 3.2455 1.2872 -0.0796
18
HEAT OF FORMATION = -35.29061 KCAL = -147.65592 KJ; FOR REACTION COORDINATE = -95.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5165 0.0000 0.0000
C 2.1066 1.3933 0.0000
C 1.6521 2.2265 -1.1845
C 0.3250 1.7553 -1.7473
C -0.5812 1.2396 -0.6496
H 1.8078 1.9108 0.9505
H 1.8910 -0.5610 0.8959
H 1.8845 -0.5467 -0.9092
H -0.3585 -0.9108 -0.5500
H -0.3829 -0.0918 1.0498
H 1.5468 3.2945 -0.8565
H 2.4270 2.1989 -1.9935
H -0.1741 2.5995 -2.2898
H 0.5010 0.9367 -2.4941
H -0.7179 2.0419 0.1227
H -1.5930 1.0054 -1.0708
H 3.2256 1.3220 0.0013
18
HEAT OF FORMATION = -35.43405 KCAL = -148.25608 KJ; FOR REACTION COORDINATE = -90.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5172 0.0000 0.0000
C 2.0773 1.4065 0.0000
C 1.6702 2.1770 -1.2416
C 0.3470 1.7015 -1.8103
C -0.5806 1.1995 -0.7246
H 1.7076 1.9454 0.9123
H 1.8927 -0.5555 0.8982
H 1.8914 -0.5428 -0.9079
H -0.3646 -0.9459 -0.4794
H -0.3759 0.0000 1.0569
H 1.6029 3.2676 -0.9884
H 2.4629 2.0723 -2.0282
H -0.1444 2.5392 -2.3700
H 0.5316 0.8738 -2.5446
H -0.7643 2.0274 0.0092
H -1.5714 0.9260 -1.1718
H 3.1955 1.3666 0.0682
18
HEAT OF FORMATION = -35.15942 KCAL = -147.10700 KJ; FOR REACTION COORDINATE = 145.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5156 0.0000 0.0000
C 2.0546 1.4144 0.0000
C 1.7020 2.1275 -1.2890
C 0.3535 1.7053 -1.8409
C -0.5838 1.1625 -0.7812
H 1.6241 1.9733 0.8722
H 1.8923 -0.5523 0.8995
H 1.8944 -0.5396 -0.9074
H -0.3637 -0.9686 -0.4335
H -0.3754 0.0460 1.0560
H 1.7061 3.2341 -1.1049
H 2.4910 1.9225 -2.0597
H -0.1413 2.5879 -2.3258
H 0.5031 0.9227 -2.6304
H -0.8517 1.9895 -0.0727
H -1.5271 0.8292 -1.2895
H 3.1678 1.3985 0.1299
18
HEAT OF FORMATION = -34.65585 KCAL = -145.00008 KJ; FOR REACTION COORDINATE = 140.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5146 0.0000 0.0000
C 2.0373 1.4215 0.0000
C 1.7148 2.1009 -1.3139
C 0.3587 1.7039 -1.8651
C -0.5908 1.1184 -0.8376
H 1.5713 1.9887 0.8478
H 1.8925 -0.5491 0.9007
H 1.8971 -0.5376 -0.9067
H -0.3634 -0.9907 -0.3809
H -0.3726 0.0991 1.0537
H 1.7538 3.2126 -1.1676
H 2.5038 1.8452 -2.0696
H -0.1397 2.6107 -2.3012
H 0.5011 0.9600 -2.6924
H -0.9439 1.9393 -0.1600
H -1.4823 0.7255 -1.3960
H 3.1459 1.4234 0.1640
18
HEAT OF FORMATION = -34.00290 KCAL = -142.26813 KJ; FOR REACTION COORDINATE = 135.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5134 0.0000 0.0000
C 2.0307 1.4231 0.0000
C 1.7309 2.0779 -1.3308
C 0.3657 1.7124 -1.8819
C -0.5925 1.0736 -0.8936
H 1.5446 1.9987 0.8303
H 1.8908 -0.5482 0.9016
H 1.8975 -0.5379 -0.9058
H -0.3645 -1.0092 -0.3276
H -0.3703 0.1540 1.0481
H 1.8055 3.1914 -1.2135
H 2.5154 1.7779 -2.0753
H -0.1351 2.6452 -2.2585
H 0.4991 1.0201 -2.7544
H -1.0346 1.8783 -0.2488
H -1.4264 0.6232 -1.4971
H 3.1357 1.4330 0.1859
18
HEAT OF FORMATION = -33.31678 KCAL = -139.39741 KJ; FOR REACTION COORDINATE = 130.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5119 0.0000 0.0000
C 2.0240 1.4250 0.0000
C 1.7237 2.0737 -1.3328
C 0.3444 1.7472 -1.8725
C -0.6074 1.0347 -0.9275
H 1.5340 1.9997 0.8288
H 1.8895 -0.5467 0.9023
H 1.8981 -0.5371 -0.9053
H -0.3632 -1.0223 -0.2875
H -0.3654 0.1899 1.0446
H 1.8318 3.1860 -1.2276
H 2.4926 1.7440 -2.0815
H -0.1623 2.7066 -2.1665
H 0.4604 1.1272 -2.8004
H -1.1379 1.8043 -0.3063
H -1.3785 0.5310 -1.5717
H 3.1284 1.4410 0.1873
18
HEAT OF FORMATION = -32.69707 KCAL = -136.80454 KJ; FOR REACTION COORDINATE = 125.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5114 0.0000 0.0000
C 2.0251 1.4232 0.0000
C 1.7082 2.0856 -1.3205
C 0.3086 1.8124 -1.8346
C -0.6230 1.0079 -0.9462
H 1.5511 1.9934 0.8412
H 1.8876 -0.5465 0.9033
H 1.8977 -0.5393 -0.9040
H -0.3624 -1.0300 -0.2603
H -0.3604 0.2123 1.0425
H 1.8576 3.1932 -1.2145
H 2.4500 1.7342 -2.0874
H -0.2009 2.7965 -2.0247
H 0.3933 1.2902 -2.8253
H -1.2424 1.7235 -0.3417
H -1.3269 0.4627 -1.6331
H 3.1331 1.4339 0.1692
18
HEAT OF FORMATION = -32.25889 KCAL = -134.97121 KJ; FOR REACTION COORDINATE = 120.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5110 0.0000 0.0000
C 2.0266 1.4215 0.0000
C 1.7027 2.0851 -1.3186
C 0.2877 1.8531 -1.8092
C -0.6284 0.9710 -0.9799
H 1.5597 1.9917 0.8451
H 1.8857 -0.5467 0.9040
H 1.8970 -0.5408 -0.9033
H -0.3639 -1.0385 -0.2215
H -0.3572 0.2504 1.0355
H 1.8867 3.1886 -1.2252
H 2.4201 1.7048 -2.0952
H -0.2211 2.8514 -1.9068
H 0.3473 1.4224 -2.8456
H -1.3311 1.6346 -0.4063
H -1.2608 0.3853 -1.7022
H 3.1359 1.4301 0.1612
18
HEAT OF FORMATION = -32.07744 KCAL = -134.21200 KJ; FOR REACTION COORDINATE = 115.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5109 0.0000 0.0000
C 2.0222 1.4226 0.0000
C 1.6968 2.0838 -1.3188
C 0.2672 1.8896 -1.7834
C -0.6285 0.9354 -1.0140
H 1.5537 1.9931 0.8441
H 1.8858 -0.5453 0.9049
H 1.8977 -0.5411 -0.9027
H -0.3654 -1.0451 -0.1844
H -0.3547 0.2878 1.0267
H 1.9144 3.1822 -1.2414
H 2.3905 1.6732 -2.1019
H -0.2397 2.8935 -1.7929
H 0.2997 1.5497 -2.8551
H -1.4074 1.5456 -0.4791
H -1.1851 0.3142 -1.7681
H 3.1315 1.4343 0.1613
18
HEAT OF FORMATION = -32.20434 KCAL = -134.74296 KJ; FOR REACTION COORDINATE = 110.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5104 0.0000 0.0000
C 2.0293 1.4191 0.0000
C 1.6782 2.0954 -1.3041
C 0.2313 1.9449 -1.7273
C -0.6326 0.9101 -1.0332
H 1.5851 1.9842 0.8607
H 1.8838 -0.5466 0.9050
H 1.8960 -0.5436 -0.9020
H -0.3672 -1.0487 -0.1590
H -0.3516 0.3126 1.0210
H 1.9286 3.1871 -1.2305
H 2.3365 1.6686 -2.1092
H -0.2701 2.9464 -1.6276
H 0.2239 1.7169 -2.8296
H -1.4833 1.4504 -0.5321
H -1.1113 0.2670 -1.8218
H 3.1423 1.4222 0.1348
18
HEAT OF FORMATION = -32.63798 KCAL = -136.55730 KJ; FOR REACTION COORDINATE = 105.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5097 0.0000 0.0000
C 2.0444 1.4119 0.0000
C 1.6577 2.1276 -1.2719
C 0.1933 2.0182 -1.6425
C -0.6329 0.9008 -1.0402
H 1.6411 1.9657 0.8886
H 1.8821 -0.5492 0.9041
H 1.8917 -0.5455 -0.9030
H -0.3693 -1.0490 -0.1511
H -0.3515 0.3222 1.0182
H 1.9321 3.2122 -1.1819
H 2.2749 1.7074 -2.1126
H -0.3010 3.0015 -1.4114
H 0.1360 1.9199 -2.7634
H -1.5459 1.3654 -0.5720
H -1.0305 0.2530 -1.8690
H 3.1616 1.3975 0.0948
18
HEAT OF FORMATION = -33.34283 KCAL = -139.50639 KJ; FOR REACTION COORDINATE = 100.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5106 0.0000 0.0000
C 2.0459 1.4116 0.0000
C 1.6421 2.1382 -1.2611
C 0.1661 2.0559 -1.5869
C -0.6261 0.8784 -1.0620
H 1.6564 1.9607 0.8975
H 1.8830 -0.5489 0.9042
H 1.8917 -0.5458 -0.9031
H -0.3702 -1.0514 -0.1295
H -0.3517 0.3458 1.0103
H 1.9388 3.2172 -1.1780
H 2.2267 1.7059 -2.1186
H -0.3211 3.0135 -1.2557
H 0.0680 2.0584 -2.7093
H -1.5914 1.2797 -0.6416
H -0.9407 0.2238 -1.9204
H 3.1646 1.3946 0.0780
18
HEAT OF FORMATION = -34.23848 KCAL = -143.25381 KJ; FOR REACTION COORDINATE = 95.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5110 0.0000 0.0000
C 2.0529 1.4087 0.0000
C 1.6354 2.1481 -1.2500
C 0.1487 2.0910 -1.5286
C -0.6114 0.8618 -1.0840
H 1.6790 1.9536 0.9068
H 1.8826 -0.5491 0.9046
H 1.8900 -0.5488 -0.9023
H -0.3732 -1.0517 -0.1133
H -0.3555 0.3669 1.0010
H 1.9520 3.2215 -1.1724
H 2.1872 1.7073 -2.1242
H -0.3277 3.0145 -1.0995
H 0.0093 2.1909 -2.6422
H -1.6203 1.2029 -0.7155
H -0.8395 0.2086 -1.9696
H 3.1725 1.3850 0.0621
18
HEAT OF FORMATION = -35.24500 KCAL = -147.46510 KJ; FOR REACTION COORDINATE = 90.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5112 0.0000 0.0000
C 2.0601 1.4062 0.0000
C 1.6184 2.1599 -1.2336
C 0.1227 2.1239 -1.4623
C -0.6025 0.8486 -1.0989
H 1.7083 1.9461 0.9187
H 1.8833 -0.5510 0.9033
H 1.8876 -0.5476 -0.9045
H -0.3745 -1.0524 -0.1013
H -0.3571 0.3826 0.9944
H 1.9524 3.2281 -1.1593
H 2.1352 1.7152 -2.1270
H -0.3405 3.0015 -0.9355
H -0.0598 2.3183 -2.5571
H -1.6460 1.1298 -0.7805
H -0.7447 0.2057 -2.0093
H 3.1804 1.3764 0.0380
18
HEAT OF FORMATION = -36.26816 KCAL = -151.74596 KJ; FOR REACTION COORDINATE = 85.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5119 0.0000 0.0000
C 2.0655 1.4052 0.0000
C 1.5957 2.1805 -1.2108
C 0.0932 2.1584 -1.3861
C -0.5924 0.8411 -1.1095
H 1.7400 1.9345 0.9345
H 1.8843 -0.5521 0.9023
H 1.8861 -0.5477 -0.9053
H -0.3754 -1.0525 -0.0947
H -0.3599 0.3918 0.9894
H 1.9415 3.2445 -1.1314
H 2.0777 1.7429 -2.1263
H -0.3549 2.9760 -0.7597
H -0.1355 2.4479 -2.4502
H -1.6646 1.0609 -0.8437
H -0.6484 0.2193 -2.0431
H 3.1863 1.3701 0.0085
18
HEAT OF FORMATION = -37.20527 KCAL = -155.66683 KJ; FOR REACTION COORDINATE = 80.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5127 0.0000 0.0000
C 2.0700 1.4045 0.0000
C 1.5704 2.2070 -1.1811
C 0.0621 2.1930 -1.3011
C -0.5836 0.8398 -1.1150
H 1.7757 1.9207 0.9522
H 1.8856 -0.5519 0.9022
H 1.8857 -0.5477 -0.9058
H -0.3753 -1.0525 -0.0942
H -0.3630 0.3956 0.9864
H 1.9242 3.2672 -1.0903
H 2.0181 1.7860 -2.1210
H -0.3671 2.9357 -0.5767
H -0.2137 2.5744 -2.3230
H -1.6759 1.0025 -0.8976
H -0.5545 0.2503 -2.0700
H 3.1905 1.3637 -0.0253
18
HEAT OF FORMATION = -37.93698 KCAL = -158.72834 KJ; FOR REACTION COORDINATE = 75.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5136 0.0000 0.0000
C 2.0735 1.4039 0.0000
C 1.5422 2.2394 -1.1436
C 0.0296 2.2274 -1.2054
C -0.5759 0.8446 -1.1155
H 1.8161 1.9044 0.9716
H 1.8872 -0.5505 0.9028
H 1.8861 -0.5476 -0.9059
H -0.3744 -1.0525 -0.0999
H -0.3663 0.3939 0.9855
H 1.9011 3.2960 -1.0351
H 1.9546 1.8441 -2.1099
H -0.3753 2.8798 -0.3871
H -0.2948 2.6985 -2.1726
H -1.6825 0.9508 -0.9457
H -0.4636 0.2991 -2.0893
H 3.1926 1.3578 -0.0632
18
HEAT OF FORMATION = -38.47390 KCAL = -160.97480 KJ; FOR REACTION COORDINATE = 70.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5143 0.0000 0.0000
C 2.0727 1.4065 0.0000
C 1.5394 2.2149 -1.1642
C 0.0252 2.2151 -1.1970
C -0.5559 0.8183 -1.1470
H 1.8000 1.9154 0.9621
H 1.8885 -0.5517 0.9016
H 1.8856 -0.5472 -0.9066
H -0.3766 -1.0531 -0.0753
H -0.3707 0.4218 0.9713
H 1.9121 3.2696 -1.0919
H 1.9311 1.7846 -2.1237
H -0.3631 2.8220 -0.3370
H -0.3223 2.7225 -2.1359
H -1.6711 0.8896 -1.0414
H -0.3548 0.2854 -2.1135
H 3.1919 1.3662 -0.0533
18
HEAT OF FORMATION = -38.62079 KCAL = -161.58938 KJ; FOR REACTION COORDINATE = 66.00000 DEG
C 0.0000 0.0000 0.0000
C 1.5152 0.0000 0.0000
C 2.0658 1.4114 0.0000
C 1.5158 2.2171 -1.1593
C 0.0008 2.2167 -1.1613
C -0.5509 0.8056 -1.1590
H 1.7974 1.9162 0.9652
H 1.8905 -0.5497 0.9020
H 1.8880 -0.5457 -0.9064
H -0.3755 -1.0543 -0.0638
H -0.3729 0.4328 0.9654
H 1.8909 3.2715 -1.0954
H 1.8899 1.7842 -2.1243
H -0.3727 2.7646 -0.2563
H -0.3736 2.7647 -2.0647
H -1.6694 0.8405 -1.0936
H -0.2855 0.2995 -2.1242
H 3.1845 1.3782 -0.0629
