Propane, 1-bromo-2-methyl- NIST 06201314153D 1 1.00000 -2729.56389 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 13 0 0 0 0 0 0 0 0999 V2000 1.9004 1.8333 -0.1641 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 0.0666 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -1.0960 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -1.0473 1.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -2.4160 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 0.1330 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 0.0128 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 -1.0281 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 -1.8707 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -0.1046 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -1.1393 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 -3.2713 -0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -2.4762 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -2.5242 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 2 6 1 0 2 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 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. > 2013-06-20 > 78-77-3 > Propane, 1-bromo-2-methyl- 1-Bromo-2-methylpropane 1-Methyl-2-propyl bromide 2-Methylpropyl bromide > B3LYP/6-31G* > 2.2119 debye > -2729.56389027 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 106.7030 0.8752 190.0971 1.3470 226.8421 0.2013 255.7370 0.2048 298.6193 1.2306 392.7331 1.1537 415.7556 0.6680 647.3406 28.3953 815.7543 2.1949 866.1887 3.2163 944.3244 6.5835 959.9886 5.9560 977.4997 0.0453 1082.3516 2.0110 1136.6163 1.9108 1205.7665 4.6241 1248.4158 4.1154 1270.7078 44.6458 1361.2103 2.4188 1393.9312 1.5424 1428.9535 5.0524 1447.8274 6.6660 1503.7111 2.3046 1520.1267 1.0081 1524.2477 3.5682 1533.4422 6.1076 1542.0029 9.6257 3041.5133 23.2738 3042.8430 3.5632 3049.2913 27.5568 3106.2160 15.1595 3106.8486 7.0251 3112.1084 41.9573 3118.2986 43.8138 3137.7206 18.2554 3172.3688 10.5975 > 7.44002 GHz 1.38476 GHz 1.22850 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$