NIST 07221402223D 1 1.00000 -387.49439 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 70.0307 9.9368 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6379 9.3236 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7886 7.9184 -0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 69.8801 11.3420 -0.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 67.5530 7.2233 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 71.1156 12.0371 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 67.8398 5.7307 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 70.8289 13.5297 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 70.5861 9.5953 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 70.5864 9.5951 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0824 9.6652 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0824 9.6651 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 66.9600 7.5044 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 66.9599 7.5051 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 71.7085 11.7561 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 71.7089 11.7552 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 66.9038 5.1613 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 68.4166 5.4511 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 68.4178 5.4508 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 71.7649 14.0991 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 70.2522 13.8092 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 70.2507 13.8097 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 7 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. > 2014-07-22 > 629-14-1 > B3LYP/6-31G* > 0.0001 debye > -387.494386533 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 43.5423 0.0157 65.8018 3.9942 84.4780 0.8589 104.6883 0.0000 113.7032 0.0000 165.6490 9.0205 205.0258 0.0000 251.6196 1.8943 253.1194 0.0000 309.3521 0.0000 368.9697 5.8066 510.4392 1.1469 512.7794 0.0000 829.6139 0.9475 832.6354 0.0000 850.4751 0.0381 892.0239 20.5250 919.0027 0.0000 1042.3962 25.6066 1057.4109 0.0000 1087.2093 0.0000 1150.4291 53.5260 1165.2325 0.0000 1170.6013 0.0001 1181.7632 454.4834 1191.5212 0.0000 1198.1002 7.0330 1212.7395 0.0002 1248.9999 13.3079 1308.6517 0.0000 1312.7476 0.0000 1312.8982 3.2962 1361.4703 92.7477 1413.1245 0.0000 1425.5399 0.5202 1439.0667 0.0000 1459.4479 52.6134 1489.2544 0.0000 1513.7908 0.0000 1513.8047 9.4658 1530.3205 0.0000 1530.4595 6.3407 1545.3788 0.0000 1551.5619 14.6886 1568.0369 0.0000 1571.0236 0.1514 2972.7261 70.0228 2973.0020 0.0000 2989.6809 0.0000 2994.0235 139.4788 2998.8829 0.0000 2999.2233 133.6667 3009.1778 0.0000 3035.4502 115.8089 3059.2660 37.8314 3059.3691 0.0000 3130.1126 0.0016 3130.1176 59.7402 3134.9744 0.0007 3135.0332 61.6921 > 11.72311 GHz 0.56149 GHz 0.54687 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$