NIST 07021522333D 1 1.00000 -431.17501 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 31 30 0 0 0 0 0 0 0 0999 V2000 7.0606 3.4161 2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 2.5295 3.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 3.3476 3.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2908 2.6191 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 2.5162 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4597 3.5034 1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 1.8058 4.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6891 2.7084 1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 0.9727 4.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8528 3.5997 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 1.5372 6.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 4.0604 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 4.0950 3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 1.8493 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 1.8940 3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 4.0419 4.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 3.9793 2.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6245 1.9686 3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0044 1.9462 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 4.1574 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7486 4.1736 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0220 2.0529 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 2.0416 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 0.8617 4.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -0.0415 5.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1872 4.2519 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7137 3.0035 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5602 4.2443 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 1.6216 6.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4581 2.5334 5.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 0.8822 6.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 3 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 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 > 60212-30-8 > B3LYP/6-31G* > 0.1667 debye > -431.175014170 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.2433 0.0094 41.9494 0.0875 44.0553 0.0078 68.9252 0.1047 99.3349 0.2607 105.1572 0.5889 133.2669 0.6225 146.5563 0.2408 160.1939 0.1250 195.4688 2.3040 229.8736 0.5490 250.5156 0.0065 268.3445 1.0598 293.4122 2.3252 365.8010 1.8881 407.3614 0.1567 454.1251 0.1677 509.4536 3.5013 525.2670 1.0842 739.5927 4.9285 745.1405 0.0160 750.8949 0.0676 775.2912 0.7073 795.6240 1.9935 841.6542 0.1697 905.9424 1.2263 933.0016 0.2539 964.6875 0.0080 997.3887 0.4706 1027.8115 0.0817 1036.2537 0.6883 1050.0544 0.6886 1067.3568 0.5871 1074.6143 0.3550 1090.8609 3.9595 1120.0022 0.4170 1145.2786 2.0213 1152.5224 0.0410 1174.7627 0.0639 1233.8194 0.0025 1255.9481 7.2342 1282.0961 0.0799 1303.1102 0.0510 1311.1914 0.9922 1324.2098 0.5764 1339.6495 0.0016 1351.3391 0.3015 1353.8121 0.2265 1362.5759 5.3994 1372.8215 35.0878 1400.2361 3.0750 1421.9432 2.4647 1427.9233 0.5111 1436.5707 0.6545 1442.8757 0.9224 1506.3469 3.5296 1508.8025 2.0477 1515.3863 0.1397 1516.4454 0.3002 1520.9027 0.1808 1525.4341 5.0453 1529.7176 2.1683 1530.2705 4.6743 1536.1213 1.5504 1538.9768 0.0992 1545.6708 4.1124 2364.2567 0.3278 3011.6062 0.1692 3013.0351 0.6949 3017.7240 15.9980 3020.5108 27.1665 3027.0966 30.1254 3029.0168 78.4918 3032.9352 0.5297 3039.1244 1.4615 3041.7993 41.6557 3043.6469 8.6587 3045.8820 58.9813 3053.6909 14.9428 3055.0329 0.0364 3056.6424 36.7946 3070.8150 55.1824 3089.7904 88.1476 3106.3350 71.0482 3110.9510 44.8627 3126.4997 38.6272 3134.2514 31.4778 > 6.05998 GHz 0.20471 GHz 0.20187 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$