NIST 07021517273D 1 1.00000 -389.71687 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 25 0 0 1 0 0 0 0 0999 V2000 0.2034 0.7739 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 1.8755 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 -0.6339 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 1.7018 -1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 -0.8091 -1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 0.3003 -1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 0.2592 -2.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -0.8719 -2.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 3.2775 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 0.8573 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.9362 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 1.7508 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 -1.3925 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 -0.8235 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 2.4366 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 1.8921 -2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.7713 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 0.1560 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -0.6186 -2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -0.9588 -3.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -1.7386 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 0.0208 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 4.0540 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 3.4082 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 3.4563 -0.7906 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 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 1 0 0 0 3 1 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 3 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 1 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 1 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 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 > R95961 > B3LYP/6-31G* > 1.5210 debye > -389.716867673 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 106.0066 0.2930 160.9196 0.7090 213.3649 0.2610 236.9555 0.2000 248.8600 0.1612 268.7614 1.4726 275.9691 3.6855 323.7944 119.6195 352.3922 1.6871 397.9226 5.3984 419.5872 1.8886 451.7342 1.9371 454.7016 1.3531 566.0323 5.9454 632.3196 2.4019 775.5743 1.6143 810.0432 0.6593 840.2876 1.9626 908.4780 12.5279 943.6440 2.3092 958.9704 0.9093 976.4492 0.3772 987.5836 6.7651 1023.8454 2.7789 1032.6183 0.6610 1065.2667 63.2271 1085.7001 4.2382 1110.6077 0.3537 1135.3067 26.5883 1159.9141 7.6500 1180.9330 8.7210 1200.8098 5.8015 1248.9527 7.5511 1280.6880 6.7728 1292.1126 7.3897 1329.9114 22.5728 1345.8027 2.2984 1349.3527 0.9402 1375.0203 15.6592 1391.2806 0.3687 1397.5654 4.3580 1407.8489 4.2062 1416.3715 2.6767 1439.3138 2.8710 1443.8309 7.5587 1462.3576 12.3128 1511.3322 0.8560 1515.4708 2.2334 1525.2514 3.7122 1528.2518 6.3620 1530.6806 2.8609 1536.9412 8.4735 1543.2893 2.7901 2952.7214 45.1009 2987.4043 44.0413 2991.9103 27.4015 3024.5499 45.8573 3027.9833 22.5202 3037.1867 27.0947 3045.3870 34.9649 3056.4024 13.1793 3064.2832 47.4838 3070.2098 54.4414 3083.5803 36.0549 3102.5633 59.1045 3107.8258 37.6518 3118.3141 34.6600 3134.5748 24.8712 3732.3277 6.1600 > 2.23513 GHz 1.29456 GHz 0.98716 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$