NIST 07251215383D 1 1.00000 -289.99189 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 -1.5767 -0.5464 -0.0962 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -1.4751 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 -1.2402 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -0.1499 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.0997 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 1.5343 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 0.6809 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 -2.4693 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -1.5045 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -2.1866 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.9964 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -0.5609 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 0.1363 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 1.9303 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 0.9195 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 1.5712 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 2.5627 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 1.2401 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 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. > 2012-07-25 > 2214-81-5 > B3LYP/6-31G* > 2.0516 debye > -289.991891269 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 109.4064 2.4282 234.2720 0.9463 250.6091 1.0553 340.9471 1.3657 362.2612 1.0427 435.8462 2.2585 571.6512 3.6752 667.5567 2.5302 766.1278 0.5921 776.4147 1.2486 838.1835 4.0559 861.6106 4.3669 902.8818 7.3756 950.5462 4.7024 977.6959 0.2385 1005.1047 1.3795 1035.8177 15.5538 1046.2464 0.6893 1119.5112 2.2925 1139.7668 3.7037 1194.9784 0.5601 1235.6485 3.1534 1268.7589 10.9989 1307.7177 0.3877 1313.3759 0.9821 1383.0688 0.8053 1387.2467 2.3342 1393.2254 6.7287 1411.3532 2.5065 1417.4221 7.9431 1448.1470 1.2269 1500.3919 7.8576 1513.7196 0.6154 1513.8988 0.7023 1525.7619 8.6814 1536.6627 1.9772 1761.9254 57.8281 3015.7729 16.4701 3022.8401 21.5477 3030.3945 16.3895 3037.7342 31.1447 3043.9526 20.6923 3056.8639 14.8862 3059.6558 12.6393 3066.6815 88.0963 3072.5380 109.4526 3077.8860 4.2822 3085.8937 76.9849 > 3.42435 GHz 3.08164 GHz 1.86947 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$