NIST 06301516523D 1 1.00000 -556.64168 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 14 0 0 0 0 0 0 0 0999 V2000 2.1818 2.6098 0.0303 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 2.6066 1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 2.1452 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 0.7279 1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 3.1878 1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 3.3468 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 2.8783 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 1.6185 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 2.1603 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -0.0057 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 0.4559 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 0.6525 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 2.9292 2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 4.1862 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 3.2299 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 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 > 1551-21-9 > B3LYP/6-31G* > 1.7466 debye > -556.641675350 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 63.7624 1.8906 162.0724 0.7105 214.2097 0.2944 237.5751 0.0081 255.4962 0.1695 321.4132 1.6330 348.1634 0.2746 455.1306 0.6196 600.4203 4.3385 715.4810 0.3867 896.0316 1.3841 942.3748 1.3234 964.0687 0.0983 982.9232 7.4540 988.0690 4.4809 1101.3632 25.9394 1136.3175 1.4771 1197.1645 5.8104 1310.7833 16.8917 1351.4582 1.5555 1387.2402 2.6307 1427.5180 4.7536 1447.0831 1.6369 1499.1162 8.4592 1513.7683 0.2540 1514.8510 7.9379 1525.3882 0.2404 1531.0413 16.1307 1537.0957 3.2631 3042.1963 17.0329 3047.6840 33.9344 3055.1888 6.5929 3063.0186 23.1025 3101.9064 0.4464 3109.1291 65.2629 3133.8109 23.2241 3135.9906 25.1722 3142.8400 10.1457 3152.1151 9.0425 > 5.05704 GHz 2.69552 GHz 2.50985 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$