NIST 06201418493D 1 1.00000 -402.31310 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 34.9372 30.1133 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6846 29.2165 -0.0109 N 0 0 0 0 0 0 0 0 0 0 0 0 34.6919 31.6845 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0906 27.7787 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8481 29.4790 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8820 29.5495 -1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7723 32.2794 0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4979 32.0768 0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5210 29.8576 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4967 29.8084 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 33.1974 27.1489 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7003 27.6037 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 34.6738 27.5516 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9453 28.8658 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 32.6272 30.5484 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4355 29.2072 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4945 29.3292 -2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9795 28.9338 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 32.6593 30.6168 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 3 8 2 0 1 9 1 0 1 10 1 0 4 11 1 0 4 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 M CHG 2 2 1 7 -1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-20 > 107-43-7 > B3LYP/6-31G* > 10.8512 debye > -402.313096759 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 72.2025 0.3577 167.5472 9.7143 226.8441 9.7385 243.4045 0.8661 306.9844 2.3543 309.5906 0.5151 323.0217 0.0095 347.4334 6.4836 366.2147 1.3485 433.9547 6.2818 446.9054 0.1649 521.9458 0.1777 583.0693 1.2089 699.9664 34.5807 765.3596 1.3232 848.3875 77.8960 871.5442 53.9978 933.8905 26.2900 990.9829 19.4039 992.8637 1.1869 1086.3825 1.9018 1138.7949 0.5054 1141.0037 4.7572 1219.1239 3.2510 1260.4253 8.5488 1299.8326 0.3896 1331.3643 153.8350 1340.2560 8.8919 1348.6273 42.8367 1424.3064 20.2647 1452.1800 41.3080 1470.0722 4.2341 1489.8839 50.7602 1494.0805 0.8185 1519.6547 2.3252 1522.7423 7.6420 1529.2391 24.9006 1548.9027 10.6901 1571.0444 40.0336 1823.4076 433.7479 3067.9532 25.2220 3073.0406 37.2464 3081.2392 43.4314 3095.2002 11.9418 3156.9165 6.3235 3164.6659 1.4156 3168.3206 5.7977 3172.8633 22.1448 3174.6819 0.1011 3180.6429 41.3574 3181.8958 10.5396 > 3.53570 GHz 1.39263 GHz 1.27125 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$