NIST 06301518063D 1 1.00000 -311.08563 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 18 0 0 0 0 0 0 0 0999 V2000 0.7778 0.9111 1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 2.1076 1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 2.2877 2.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 3.5222 1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 1.0447 2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 2.6099 3.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 1.9737 4.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 0.9075 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 0.9402 2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -0.0415 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 2.0259 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 3.0305 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 3.6944 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 3.3705 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 4.4315 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 0.1835 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 1.2248 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 0.7846 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 3.5250 3.3957 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 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 19 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. > 2015-06-30 > 2094-75-9 > B3LYP/6-31G* > 2.6377 debye > -311.085625006 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 68.0677 4.5067 101.1935 0.1668 200.1742 0.2905 221.8174 0.0766 234.8678 0.7575 268.8296 0.2440 280.9910 6.0530 324.7567 0.5047 363.5160 0.3444 387.5071 0.9260 473.8939 0.4596 581.4130 2.6906 755.9394 4.3435 786.0509 13.0214 871.8305 7.9538 922.0480 13.2039 964.0046 2.1183 998.8546 1.8487 1022.4123 6.4669 1024.9334 0.9254 1087.4222 3.9087 1101.0840 0.1844 1209.1636 4.2116 1243.0621 0.7375 1267.7275 1.3377 1353.3996 0.8298 1376.6321 2.9364 1427.2627 4.3612 1429.4991 1.0222 1445.3211 3.9524 1455.2636 6.7800 1508.3363 0.1936 1515.3792 0.1465 1522.6287 3.2001 1527.6848 3.7918 1532.3842 9.4212 1536.0100 10.7375 1544.2731 3.3408 1828.7171 153.3805 2866.7886 119.9753 3026.1123 26.7874 3044.0577 30.4047 3052.9030 19.0850 3059.0287 7.8089 3061.8172 24.7737 3110.6705 25.2509 3116.3701 25.2631 3117.9226 14.0440 3125.1539 36.3131 3125.9694 40.9030 3145.4745 19.2124 > 2.80083 GHz 2.30976 GHz 1.81426 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$