NIST 06201414353D 1 1.00000 -416.91444 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 33.9784 19.9985 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9639 21.4279 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7367 19.2892 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1759 19.3461 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9638 22.5916 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.7261 18.7136 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 36.4263 15.9365 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5858 17.4429 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2562 18.0257 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1055 19.9144 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 37.4137 15.4632 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.8812 15.6048 0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 35.8809 15.6046 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1182 17.7936 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1184 17.7938 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 2 0 2 5 3 0 3 6 3 0 4 9 1 0 7 8 1 0 8 9 1 0 4 10 1 0 7 11 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 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. > 2014-06-20 > 123-06-8 > B3LYP/6-31G* > 7.5855 debye > -416.914436136 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 23.5892 0.8287 84.2050 0.0600 88.3081 0.5264 132.4108 8.5509 188.8474 14.0014 233.2914 0.4302 258.3264 1.3585 304.9046 0.4170 392.9025 3.5910 414.6634 0.4547 486.2270 0.0157 555.5684 2.3570 602.4284 0.1366 638.5567 12.1218 810.7448 5.5819 825.9381 1.1701 910.2002 20.5865 940.9935 3.0685 1047.5278 71.5119 1145.0803 35.0202 1188.5082 4.5282 1238.7239 44.6157 1305.9106 482.3619 1316.6885 0.8978 1394.4262 22.0213 1420.9423 29.8069 1452.6125 49.4186 1513.8702 7.1797 1527.1491 4.6916 1543.2150 12.7310 1679.4678 305.3386 2344.6165 25.6365 2356.2643 27.6014 3050.9089 36.6558 3070.9551 8.8267 3098.6688 20.4906 3143.6058 16.3230 3153.6963 19.3550 3179.7538 7.1416 > 2.85051 GHz 0.86049 GHz 0.66653 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$