NIST 07251215423D 1 1.00000 -456.18369 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 13 0 0 0 0 0 0 0 0999 V2000 0.9080 -0.0243 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 0.4286 1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 -0.4676 2.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 0.0132 3.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.7964 -0.9726 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -1.2724 -0.2904 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -0.0425 -0.0664 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.4553 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 1.4593 1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.4927 2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -1.4948 2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 1.0306 4.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.6398 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 0.0197 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 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. > 2012-07-25 > 460-34-4 > B3LYP/6-31G* > 2.1785 debye > -456.183688738 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 85.8961 0.2457 106.7108 0.3656 167.9146 1.1800 251.6361 0.0031 322.5490 1.4728 362.7624 0.4363 387.5901 3.7096 530.6612 0.7645 544.5005 3.1879 651.9595 14.2197 763.0143 1.3207 840.9647 6.6839 889.5576 8.7274 927.3221 7.3778 1054.3539 7.5534 1064.6551 77.1630 1118.3621 21.8448 1201.2174 197.3446 1230.8206 68.4703 1287.0203 166.3816 1305.3994 53.1037 1361.2472 56.7643 1365.0539 34.9953 1435.8704 38.1535 1444.0193 1.9129 1509.6107 6.7562 1525.7479 2.3090 1530.9348 7.7781 1541.1488 4.0414 3046.3612 22.1978 3058.1569 10.3516 3071.2421 22.1031 3087.4965 0.0095 3108.7846 5.0487 3121.8548 34.0131 3122.9472 59.3851 > 4.84967 GHz 1.43859 GHz 1.41954 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$