NIST 08031215093D 1 1.00000 -423.72279 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 13 13 0 0 0 0 0 0 0 0999 V2000 7.9055 3.8353 -1.1948 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 2.9401 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3179 1.8531 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 0.5929 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 2.0178 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 0.4288 -0.2866 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 -0.4824 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 0.9474 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 -0.2988 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 2.9907 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 -1.4386 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 1.0833 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 -1.1347 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 4 6 1 0 3 4 1 0 4 7 2 0 7 9 1 0 9 8 2 0 8 5 1 0 3 5 2 0 5 10 1 0 7 11 1 0 8 12 1 0 9 13 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. > 2012-08-03 > 394-47-8 > B3LYP/6-31G* > 5.1923 debye > -423.722792603 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 130.9582 1.1577 145.7146 2.9006 244.9204 1.0413 368.1462 1.8926 402.6377 0.9905 462.2057 2.2399 500.9680 6.1709 559.4360 1.1883 580.8250 1.8426 604.3567 0.7261 727.6843 2.1478 742.7756 7.3468 776.6050 57.5960 853.6128 13.4690 877.4140 0.8359 958.6682 2.2398 991.4689 0.0124 1060.5794 2.7070 1132.5124 11.1725 1190.0809 1.8463 1221.6331 1.8080 1286.4605 28.4958 1313.1767 31.2805 1352.0378 1.9372 1499.5743 22.7520 1541.3273 69.8979 1634.4983 17.6665 1666.5410 26.7806 2354.9692 22.5571 3203.1561 1.6432 3215.6376 7.4034 3227.3503 6.1693 3232.2031 2.0494 > 2.92984 GHz 1.50708 GHz 0.99518 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$