NIST 08031215023D 1 1.00000 -859.32241 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 20.1256 40.0087 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9091 38.1968 -0.2446 P 0 0 0 0 0 0 0 0 0 0 0 0 18.0989 37.9352 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1903 37.9520 -2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0366 37.0753 0.9204 S 0 0 0 0 0 0 0 0 0 0 0 0 21.1697 40.2712 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8910 40.2606 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4756 40.5814 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8634 36.8889 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8243 38.1462 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5229 38.5835 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9959 36.9058 -2.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2357 38.1744 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5382 38.5991 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 2 0 1 6 1 0 1 7 1 0 1 8 1 0 3 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 4 14 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 > 2404-55-9 > B3LYP/6-31G* > 5.2080 debye > -859.322413621 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 188.1995 0.0001 208.2203 0.8092 208.6316 0.8482 223.0723 0.4312 224.7301 0.3908 273.0917 3.1541 273.7469 3.1316 275.4404 0.5433 557.5992 13.8576 706.8446 57.2637 719.8884 16.5010 720.2837 16.5613 817.3617 0.0015 884.9652 7.7613 885.7801 7.7751 980.3276 39.7304 980.6676 39.6554 1006.8538 155.5987 1353.9644 13.3713 1354.0825 13.3761 1371.7230 3.8868 1476.5730 0.0002 1488.7715 0.0106 1488.8049 0.0180 1493.6214 11.7916 1493.9027 11.7345 1510.1730 5.7947 3058.4581 1.8141 3058.7494 1.8434 3062.6014 15.2320 3144.5169 0.1259 3144.8272 0.1784 3148.5442 21.4574 3161.8944 0.0252 3162.4817 2.7608 3162.5545 2.7383 > 3.52677 GHz 2.28035 GHz 2.28025 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$