NIST 07251211073D 1 1.00000 -378.81033 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 3.0682 -3.7493 -1.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -2.4208 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6522 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 -1.8450 -0.3473 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 -0.3158 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 0.2434 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -0.5389 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 -2.5718 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 -4.0262 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -4.1237 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -2.1265 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 0.2760 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 1.2783 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -0.1985 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 4 8 2 0 6 5 4 0 5 3 4 0 3 2 4 0 2 4 4 0 4 7 4 0 6 7 4 0 1 9 1 0 1 10 1 0 3 11 1 0 5 12 1 0 6 13 1 0 7 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. > 2012-07-25 > 14150-95-9 > B3LYP/6-31G* > 3.5373 debye > -378.810333581 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 184.1044 7.0013 286.4831 6.2481 374.2279 28.1191 386.4416 83.8689 455.9875 24.2097 485.6605 13.7481 558.3744 28.7886 571.6796 15.2328 608.0150 15.3934 627.2987 172.2488 711.9986 17.1198 755.4248 73.9968 810.3250 1.9091 840.6389 0.2830 884.6667 30.0124 909.1835 5.1063 948.9468 0.0481 1058.9229 1.7222 1088.4800 0.6064 1157.8520 15.3420 1182.4726 2.8340 1269.0543 118.0874 1328.2197 45.8754 1345.2465 18.4008 1384.4258 33.9312 1492.0469 45.2433 1555.5661 50.9129 1593.3459 36.6615 1624.3027 92.5259 1695.9446 140.2224 3201.9916 5.0379 3215.9952 7.5909 3229.2466 7.8743 3267.1816 0.2305 3498.5067 50.5915 3671.1974 41.8934 > 3.62894 GHz 2.31315 GHz 1.41422 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$