NIST 07011508283D 1 1.00000 -382.88108 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 2.2959 1.1476 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 1.0573 3.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 1.7824 2.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 2.3423 3.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 2.3545 2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.5953 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 2.1689 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 0.2831 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 1.2786 5.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.5446 4.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 0.0296 3.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 3.4016 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 2.2103 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 3.1862 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 1.5311 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 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. > 2015-07-01 > 19693-75-5 > B3LYP/6-31G* > 1.4569 debye > -382.881079171 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 62.9075 5.2318 120.4645 4.6301 164.7820 0.6829 219.0181 7.3022 295.3021 1.5227 480.4323 2.0170 567.9993 6.5227 682.0260 3.7894 808.2664 7.7442 885.7550 8.8333 958.8112 26.6037 983.2521 58.2633 1000.4523 22.8824 1014.7584 107.9802 1073.9546 62.4576 1123.5708 295.6678 1145.4825 156.3353 1182.7574 142.7024 1188.7650 6.4606 1228.1590 13.1145 1238.8080 16.3584 1256.9718 4.3272 1335.6366 7.0583 1395.0991 13.8981 1410.7628 26.3586 1419.9935 37.0258 1500.6827 5.2627 1515.6631 3.0665 1539.2722 1.3702 1542.0541 4.8868 1557.4228 0.2112 3013.2343 49.5335 3053.7450 82.7868 3057.4756 24.3126 3060.6045 61.7785 3083.1478 40.1922 3111.7120 32.7238 3142.3793 34.1529 3152.1846 26.0919 > 5.65230 GHz 2.15007 GHz 1.83212 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$