NIST 07141412013D 1 1.00000 -230.16113 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 9 0 0 0 0 0 0 0 0999 V2000 35.0627 9.9042 0.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6890 9.4023 0.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9095 10.4364 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8422 8.8701 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8814 10.0615 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9851 11.3628 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 33.1922 10.6330 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8703 9.2450 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7666 7.9437 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 35.5595 8.6735 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 3 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 4 10 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. > 2014-07-14 > 690-02-8 > B3LYP/6-31G* > 1.2713 debye > -230.161125970 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 26.9728 8.6953 227.9524 2.0963 238.6646 4.1784 399.4539 7.2742 463.0308 2.8414 842.3949 2.0454 1054.7993 80.7909 1067.6948 6.3627 1183.8309 5.9652 1188.1942 1.0353 1200.2617 3.8425 1257.1561 0.5058 1467.3598 12.0223 1479.8924 0.0079 1491.9773 1.4587 1492.6217 6.1922 1538.8640 23.0260 1545.6190 0.0003 3026.5281 73.1773 3030.3170 16.5618 3092.8369 20.8888 3094.3598 81.2446 3131.1697 1.5650 3131.4396 39.5972 > 25.07718 GHz 4.70109 GHz 4.55887 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$