NIST 07241415013D 1 1.00000 -1216.42848 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 27 28 0 0 0 0 0 0 0 1 V2000 -10.1857 3.0624 3.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 3.9720 2.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9072 1.7005 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9375 3.5547 4.9188 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4906 0.0753 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 -1.1716 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 1.2866 -0.0271 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7563 0.0926 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -1.1602 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1061 0.4623 -1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1635 0.5847 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0059 1.7805 0.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0067 -0.2344 0.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0569 3.4988 1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7783 2.1333 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1947 1.2259 2.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2963 2.7306 5.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1639 4.7634 4.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9989 5.0233 2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2467 1.0287 4.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 0.3589 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -2.0696 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7126 -2.0490 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 1.4042 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -0.3255 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7090 4.1726 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9763 0.1717 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 4 17 2 0 4 18 2 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 12 15 1 0 5 6 2 0 6 9 1 0 9 8 2 0 8 7 1 0 5 7 1 0 1 2 1 0 2 14 2 0 14 15 1 0 15 16 2 0 16 3 1 0 1 3 2 0 2 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 14 26 1 0 16 27 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. > 2014-07-24 > U308059 > B3LYP/6-31G* > 5.7537 debye > -1216.42848428 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 7.9167 0.0850 19.5221 0.2172 24.0015 0.1500 40.7770 1.8349 63.9051 0.0251 82.8141 0.2702 107.6010 1.5461 160.9026 3.6745 207.5228 1.3503 235.8813 2.9274 261.6077 2.1207 314.7566 0.7817 340.4194 1.0452 385.1586 2.0885 423.6655 2.2959 428.5395 7.1960 483.5116 2.1713 509.9555 6.1751 531.9637 3.9531 539.9964 0.6190 579.3585 0.7952 594.0538 5.6422 639.1944 1.5408 654.2280 1.5979 689.2562 10.3892 709.9018 41.1142 710.7531 31.5742 743.1956 11.3459 757.8724 22.3575 784.9561 36.6969 809.9202 3.8875 835.3703 1.6566 847.0660 3.5234 862.8907 5.6460 868.9380 25.8178 878.1771 59.7987 914.1131 1.3604 933.8844 60.5216 960.6193 1.9573 977.6599 0.0857 983.6126 0.8239 1033.2181 6.5400 1068.5451 6.8073 1108.4970 69.9988 1127.8539 155.0675 1133.2635 43.1462 1137.0318 11.5069 1191.1730 172.4214 1197.7799 81.7888 1246.4291 608.6608 1252.5216 43.7297 1298.2114 81.3678 1326.7683 1.4511 1337.6807 21.2720 1377.2124 29.3944 1398.8016 302.8402 1406.5236 0.0791 1461.4546 0.9673 1493.2550 9.9480 1498.5945 6.7101 1537.1002 79.4650 1601.4559 0.4702 1620.2837 115.4963 1651.2152 82.4487 1673.4668 92.9213 1851.8197 211.4609 3076.9718 8.5272 3142.1735 3.2884 3217.1844 5.2309 3226.6575 2.0323 3232.8870 5.9896 3252.5693 1.0042 3256.6883 1.5621 3272.1628 0.8602 3273.1129 1.1847 > 0.96638 GHz 0.15011 GHz 0.14609 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$