Benzene, (cyclopropylidenemethyl)- NIST 06281305263D 1 1.00000 -387.02395 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 21 0 0 0 0 0 0 0 0999 V2000 1.3481 -0.1574 2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 -1.1946 1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 1.1373 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 -2.5204 2.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 -0.9228 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 2.4536 2.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 2.2614 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 -3.5391 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 -1.9396 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -3.2534 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 -0.5054 2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 -2.7496 2.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 0.0932 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 2.9850 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 2.6548 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 2.3323 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 2.6631 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -4.5562 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 -1.7076 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -4.0445 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 6 1 0 6 7 1 0 3 7 1 0 2 4 1 0 4 8 2 0 8 10 1 0 10 9 2 0 9 5 1 0 2 5 2 0 1 11 1 0 4 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 10 20 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. > 2013-06-28 > 7555-67-1 > Benzene, (cyclopropylidenemethyl)- Methane, cyclopropylidenephenyl- (Cyclopropylidenemethyl)benzene (Phenylmethylene)cyclopropane > B3LYP/6-31G* > 0.4963 debye > -387.023954735 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 47.3736 0.1638 118.5178 0.1390 123.7532 0.6542 232.6696 0.3755 306.0464 0.3367 355.7550 0.7074 378.0784 0.5857 416.8425 0.0075 526.0980 6.9675 624.8487 8.5626 633.5212 0.3702 707.6987 20.0865 758.7309 15.3002 767.2823 8.5926 783.4076 9.1574 835.9108 10.4991 848.4400 1.3875 856.8794 0.2136 926.1283 3.2342 963.3559 0.5727 978.4192 7.1575 993.8011 1.3260 1001.8269 10.3699 1015.9274 0.1291 1052.7181 1.7515 1057.3116 5.1219 1084.1453 3.2384 1094.2630 1.6715 1103.2048 0.5231 1122.3775 3.6627 1178.0861 0.0004 1192.1745 0.1130 1213.5752 0.1349 1249.7907 0.7460 1331.9149 2.1314 1369.0605 0.1427 1403.6362 2.9470 1479.6425 0.4530 1493.6376 4.5296 1510.0681 4.1927 1546.4314 13.0511 1636.0383 0.7814 1661.7807 5.2090 1831.0115 0.1209 3110.9681 18.1536 3113.9062 34.3583 3143.0276 18.2473 3175.4861 9.1679 3177.4639 0.2320 3183.0287 0.2485 3190.3944 23.0257 3193.4422 33.0177 3206.5660 35.6473 3217.9827 8.7023 > 3.96908 GHz 0.73233 GHz 0.62338 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$