NIST 06301517003D 1 1.00000 -345.78643 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 2.1224 1.6267 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 0.6955 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 2.6032 2.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 0.8868 2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 2.2303 1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 0.0958 3.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 1.4536 1.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 0.0125 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 0.0904 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 1.2755 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 3.2699 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 3.2204 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 2.0535 3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 1.9524 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 3.3014 1.1982 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 1 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 7 5 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 > 1955-45-9 > B3LYP/6-31G* > 4.1670 debye > -345.786430657 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 126.4142 0.1908 183.3788 4.4875 218.0984 0.4999 229.0976 1.6641 286.3662 1.1589 345.7658 0.0785 376.9186 0.1890 545.7752 1.6905 670.2565 1.1640 735.5561 3.3321 774.5356 3.6213 867.7909 0.1695 944.7103 0.0101 963.0112 89.1972 980.6657 1.4089 1010.5637 2.2035 1051.8821 0.0249 1115.1690 140.6130 1163.1754 0.5622 1225.3844 13.3382 1259.9483 0.7339 1280.8969 12.0037 1368.0824 15.9438 1428.6387 3.4015 1449.7872 5.0825 1513.8818 1.0070 1517.4015 3.8204 1532.7648 2.9371 1533.4681 7.2056 1548.3131 7.8650 1932.2395 379.2683 3049.2542 20.8182 3052.5728 15.5915 3089.5328 31.0976 3117.5791 8.9341 3119.9590 30.5992 3127.5293 3.4501 3130.6322 28.1236 3148.7132 28.1848 > 3.49253 GHz 2.57115 GHz 2.21901 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$