NIST 07101409393D 1 1.00000 -460.87578 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 24 0 0 0 0 0 0 0 0999 V2000 86.0007 10.0055 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 87.3615 10.7142 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 84.8131 10.9769 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 88.5432 9.7375 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 89.9015 10.4704 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 91.0414 9.5486 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 91.9305 8.8023 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 83.4569 10.2618 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 82.2770 11.2567 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 80.9725 10.5881 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 79.9489 10.0406 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 85.9331 9.3484 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 85.9331 9.3480 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 87.4303 11.3711 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 87.4304 11.3715 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 84.8794 11.6340 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 84.8794 11.6344 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 88.4901 9.0838 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 88.4900 9.0833 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 89.9821 11.1209 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 89.9823 11.1213 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 83.3756 9.6111 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 83.3756 9.6106 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 82.3311 11.9102 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 82.3310 11.9106 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 3 8 1 0 4 5 1 0 5 6 1 0 6 7 3 0 8 9 1 0 9 10 1 0 10 11 3 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-07-10 > 1675-69-0 > B3LYP/6-31G* > 3.8645 debye > -460.875778751 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.8943 1.6440 47.0834 5.3749 48.7708 0.0336 94.6633 0.0367 105.8402 6.8491 112.3404 5.1146 154.6709 0.1532 158.3131 0.0060 165.4222 2.4948 250.1397 3.6129 274.5511 1.7025 390.7946 0.4574 392.6809 0.5854 412.9798 0.1388 440.7644 0.0396 548.9683 2.0715 571.0678 0.2719 739.4779 6.4244 743.5708 0.0062 768.8814 1.1284 829.6187 0.0004 915.9786 0.2687 932.9576 0.7176 943.5773 2.1166 1006.6382 0.4496 1014.8366 0.0001 1021.7098 0.1076 1037.8273 0.1736 1063.2689 0.6053 1072.4288 0.2479 1107.1433 0.2550 1148.8956 0.0802 1168.6897 0.0000 1246.7464 0.7864 1254.9225 0.0999 1292.2549 0.3538 1299.9424 0.0004 1333.3688 0.7345 1337.3400 0.0025 1343.0668 0.0025 1356.0443 0.1057 1357.2670 0.0000 1377.5908 2.8672 1407.5173 0.6868 1425.6620 1.4821 1431.0401 0.1069 1499.7783 3.4897 1500.2039 1.0886 1515.6967 0.1188 1516.8479 0.0297 1522.7590 1.6288 1533.1104 0.0298 1542.3590 6.1497 2369.6730 15.3555 2369.7855 6.2698 3016.7810 0.0740 3018.7081 8.1978 3028.8901 51.2477 3041.0702 3.4498 3047.4099 0.0165 3047.7077 0.0243 3048.2177 0.0001 3057.7167 4.0623 3058.5815 71.1361 3070.2557 29.9495 3080.1504 0.0371 3082.2178 11.7455 3103.7288 0.6182 3105.1783 94.9789 > 7.32752 GHz 0.22135 GHz 0.21687 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$