NIST 07171410143D 1 1.00000 -313.24532 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 21 0 0 0 0 0 0 0 0999 V2000 0.4287 2.1941 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 1.6701 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 0.4394 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6909 -0.7461 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -1.2052 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -2.3879 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 -3.5766 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 -3.9599 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 3.0546 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4018 2.5506 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 1.4451 0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 2.3978 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 0.2450 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -0.4910 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -1.5632 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 -0.4549 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 -2.5270 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -4.4365 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -3.3940 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2185 -4.8559 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.1473 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 -4.1680 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 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. > 2014-07-17 > R147412 > B3LYP/6-31G* > 0.2185 debye > -313.245317581 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 31.5927 0.0975 39.7475 0.0574 68.1927 0.0279 140.5524 0.2344 173.7749 0.0477 205.1140 0.0163 240.8719 0.0105 288.0197 0.1101 335.0125 0.1016 423.8600 0.7168 537.4967 2.6133 562.6421 5.4592 577.1412 11.9497 727.0496 30.9870 738.3938 22.8936 807.5411 4.0049 879.6298 4.2114 899.1065 1.1498 953.1934 11.5973 996.4347 5.3924 1015.7728 0.1020 1017.9720 0.6485 1025.2682 0.8436 1041.7755 7.8656 1076.0721 0.7003 1102.9739 3.0225 1124.2292 0.9889 1163.7844 0.0787 1243.1650 0.0447 1294.0958 0.1532 1303.1966 0.1619 1316.4365 0.1586 1326.5702 14.3236 1360.2853 5.1133 1428.9501 5.8695 1434.8242 1.6187 1450.9686 9.4777 1454.6841 5.2082 1500.5127 0.7307 1513.6426 3.9003 1516.0143 2.0989 1524.3485 5.4759 1527.9341 5.1645 1537.3761 4.7583 1734.2682 1.2387 1749.5614 2.3275 3020.9168 30.4843 3033.6732 31.6091 3045.3730 24.2041 3046.2080 36.2388 3076.1381 25.3646 3076.5790 22.9233 3088.7826 5.4262 3113.4085 37.0276 3119.8493 32.9900 3126.3196 35.6963 3126.7724 3.5129 3138.9446 20.3992 3154.1617 46.5144 3159.4591 51.0336 > 5.70369 GHz 0.70522 GHz 0.67276 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$