NIST 07021515283D 1 1.00000 -231.22181 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 11 0 0 0 0 0 0 0 0999 V2000 2.6393 0.8315 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 0.6344 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9039 2.1375 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 2.1028 0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 2.9570 0.9696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 0.0381 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 0.0519 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 0.1152 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 2.6619 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 2.3480 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 2.3556 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 3 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. > 2015-07-02 > 1191-99-7 > B3LYP/6-31G* > 1.1644 debye > -231.221807273 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 60.0308 1.4474 452.2692 21.5057 702.2376 3.1459 719.4453 29.0898 839.9201 3.4794 848.2932 1.3134 913.9520 2.6987 937.7059 29.2071 939.5077 25.6628 1014.8621 5.3359 1084.7466 5.7474 1100.2227 52.1950 1179.9020 66.0963 1220.0592 5.4871 1261.1909 3.3856 1318.9556 9.5859 1335.9181 1.5209 1427.1803 3.8728 1527.8593 0.2403 1550.9410 0.0283 1703.8035 58.1152 3028.7719 47.2581 3057.3287 19.6083 3070.8702 56.9864 3119.6019 43.3515 3244.6053 3.2877 3269.8196 9.6939 > 8.07633 GHz 7.75419 GHz 4.16921 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$