NIST 07021515533D 1 1.00000 -2149.41821 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 18 0 0 0 0 0 0 0 0999 V2000 4.5323 -0.7026 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 -0.5343 -0.0623 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 -1.9211 -1.5956 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 -0.9734 -3.1493 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 -1.8615 -3.3239 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 -1.0409 -1.9374 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6649 -2.3941 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 -1.9777 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8377 -3.0758 1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 -0.0343 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 -1.7280 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 -0.3827 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 -2.5818 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0004 -3.3021 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 -1.7510 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3201 -1.0521 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -2.7638 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8882 -3.3045 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 -4.0032 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 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 > R53454 > B3LYP/6-31G* > 4.2319 debye > -2149.41821255 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.7180 0.1043 33.7739 0.7167 52.2125 0.7450 71.0803 0.1251 83.3562 1.5955 114.9640 0.5471 129.4341 0.8138 166.5840 1.5496 188.9183 1.1157 207.8090 1.5206 213.9613 1.5891 243.9352 0.0050 257.3037 0.7843 279.0744 1.8157 337.8776 1.1781 385.4793 0.5563 441.9295 4.0272 477.6346 5.5136 479.3616 11.4340 690.7844 0.8932 734.5122 2.5743 756.4012 3.3580 880.9649 0.0244 910.3129 1.5639 991.2739 11.3542 994.8026 3.7958 1046.2717 0.4978 1083.4872 1.2198 1114.4351 13.7483 1256.9051 0.1068 1282.3950 23.4311 1339.7883 0.2330 1379.4501 3.9523 1391.6746 1.7451 1440.5854 2.2015 1489.5620 11.5134 1501.8764 10.8133 1517.0525 5.9390 1522.8531 0.7901 1528.8510 7.7474 1538.0819 3.8064 3047.4652 9.9968 3049.9185 28.6109 3060.0213 10.5486 3080.3310 4.1960 3083.6604 17.0730 3116.7803 30.1657 3123.3005 30.4144 3141.1657 21.4921 3148.8450 1.2116 3161.4872 5.2040 > 0.83281 GHz 0.45617 GHz 0.32710 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$