NIST 06301523213D 1 1.00000 -352.54682 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 0.5319 1.0710 3.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 2.2328 3.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 1.9693 3.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 1.7259 3.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4584 1.4576 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 2.3198 2.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 2.1258 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 3.1687 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 0.7061 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 1.3148 3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 0.8674 2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 0.1549 3.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1515 3.1477 3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 2.4417 4.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0031 1.6402 4.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 0.3919 2.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 2.1041 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 3.3743 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 2.2976 2.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2355 3.0689 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9401 4.1898 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 3.0486 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 0.4753 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 0.6051 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6492 -0.0587 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 3 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 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. > 2015-06-30 > 37050-06-9 > B3LYP/6-31G* > 0.1362 debye > -352.546822403 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.1870 0.0084 47.0579 0.1237 74.1616 0.5346 102.0882 0.0478 137.1972 1.4580 193.4062 1.6747 222.9920 0.1861 237.4344 0.3083 250.5040 0.0688 288.3484 3.1810 331.0643 1.7277 366.4789 1.3139 408.4572 0.3680 433.4182 0.2635 506.1908 1.4568 517.5537 2.4562 741.9561 0.3703 771.0922 1.3536 794.7793 2.0035 841.0684 0.3176 939.8502 1.8202 946.8183 1.4088 967.6242 0.2005 974.3351 0.1379 987.4439 0.2236 1033.7880 2.5944 1090.7276 3.5338 1119.1332 0.2721 1145.3638 0.8749 1156.7707 0.2021 1177.3337 0.2482 1204.6087 4.6765 1250.3104 4.0354 1300.1708 6.2275 1303.9907 1.3191 1334.2666 0.5182 1369.5596 4.5577 1374.1722 32.2299 1388.8891 2.4352 1410.4290 6.1724 1431.6018 5.4505 1435.7067 0.6912 1451.3641 3.5503 1504.0919 2.4319 1507.9695 2.8019 1517.9106 0.1466 1521.0974 1.1552 1524.9443 5.0125 1528.2187 2.0827 1535.8325 2.1718 1536.2547 1.4246 1541.4560 12.5510 2363.9476 0.3631 3003.7530 15.8858 3019.6478 21.1918 3027.0060 32.8838 3035.8485 15.1075 3038.1005 39.7706 3043.8372 32.4151 3053.5549 15.1598 3054.6089 5.9939 3056.6074 35.1565 3082.4689 36.6309 3099.0242 4.9268 3105.5961 79.2189 3110.2060 45.3471 3115.1707 47.0327 3126.5262 38.1921 3134.1353 31.4191 > 4.49197 GHz 0.46342 GHz 0.44796 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$