NIST 07011509333D 1 1.00000 -155.03380 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 8 0 0 0 0 0 0 0 0999 V2000 1.0203 0.8860 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 1.9888 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 1.4725 1.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 1.2345 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 0.0158 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 0.5693 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 2.8664 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 2.3134 2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 2.1751 2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 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. > 2015-07-01 > 64-17-5 > B3LYP/6-31G* > 1.5625 debye > -155.033797672 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 251.3109 36.3554 299.4203 94.8874 417.2026 11.2998 829.4891 0.0163 911.6614 10.0007 1042.4843 56.0423 1124.4059 23.3109 1194.4830 4.8448 1291.8236 86.6675 1310.1236 0.0761 1427.2033 0.4375 1481.7561 16.2232 1513.8424 4.4227 1531.4879 3.0861 1560.5005 2.6766 2982.5946 73.4070 3006.0719 77.7385 3058.3067 15.6925 3129.2659 31.5126 3134.2623 34.3104 3752.5277 9.6983 > 34.95843 GHz 9.35361 GHz 8.13286 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$