NIST 06191413253D 1 1.00000 -723.91993 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 10 0 0 0 0 0 0 0 0999 V2000 -2.7256 1.8076 -0.8401 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 0.1759 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -0.7326 -0.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 0.0091 -0.4475 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 -1.9745 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 -1.2413 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 -2.2930 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -2.7292 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -1.3925 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 -3.3021 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 6 7 2 0 7 5 1 0 5 3 2 0 3 2 1 0 2 4 2 0 6 4 1 0 5 8 1 0 6 9 1 0 7 10 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. > 2014-06-19 > 1722-12-9 > B3LYP/6-31G* > 3.9358 debye > -723.919927111 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 159.7180 3.1997 329.4596 2.2673 415.3491 0.0000 440.7549 8.5679 491.8190 0.5654 633.7371 9.7662 771.6397 42.7282 791.5364 14.1645 822.3517 19.3365 1001.0933 0.0747 1001.4378 0.0097 1002.6949 0.1482 1097.7764 5.2636 1119.1582 0.5869 1198.9746 188.1320 1258.6344 0.8745 1304.8557 6.7990 1437.2143 206.3797 1470.9589 0.6998 1607.6199 104.1161 1622.3684 108.8335 3188.6526 9.8064 3191.1856 21.4981 3234.6604 6.7173 > 6.08862 GHz 1.68315 GHz 1.31863 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$