NIST 06241416313D 1 1.00000 -780.08078 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 25 0 0 0 0 0 0 0 0999 V2000 7.5827 0.7651 -0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6196 -0.4904 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 1.4190 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -1.1129 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9160 -1.1858 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 0.8138 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -0.4507 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 1.4715 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 4.9556 -3.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 4.2471 -2.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 4.2258 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 3.4146 -1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 2.6929 -1.0522 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 0.9639 -0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -2.2921 0.4744 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 -0.6162 -0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4985 1.2064 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 2.3960 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -2.0899 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3447 -0.8987 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 5.5749 -4.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 4.7912 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 3.5503 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 4.9293 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 2.6656 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 5 15 2 0 5 16 2 0 6 8 1 0 8 13 1 0 8 14 2 0 9 10 3 0 10 12 1 0 11 12 1 0 12 13 1 0 1 2 1 0 2 4 2 0 4 7 1 0 7 6 2 0 6 3 1 0 1 3 2 0 1 17 1 0 3 18 1 0 4 19 1 0 7 20 1 0 9 21 1 0 11 22 1 0 11 23 1 0 11 24 1 0 12 25 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. > 2014-06-24 > U299264 > B3LYP/6-31G* > 4.3679 debye > -780.080777739 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 28.4214 0.0346 41.7477 0.0276 57.4860 0.3741 68.2866 0.0112 81.2494 1.4481 102.8418 4.8873 164.9508 0.9177 195.0346 6.1119 241.3556 1.4808 246.2937 0.7538 261.7184 0.0646 281.2354 0.6179 324.8629 12.6154 395.2559 3.0484 422.2667 0.0546 423.0323 0.5092 474.5399 0.0693 512.1981 9.1065 533.7732 1.0288 545.4651 5.6895 581.5908 3.5309 613.9669 46.9340 642.0611 0.4294 663.8572 36.5540 679.7206 0.9079 718.5501 1.5206 727.4672 59.8309 787.2231 1.3276 823.3853 14.1421 863.4152 65.3838 864.3220 1.3323 884.5674 1.5081 897.8318 21.5454 925.1810 40.9057 995.7549 0.1313 1007.0480 0.0843 1035.5420 23.2670 1052.4771 67.9548 1119.7486 1.0822 1129.1933 65.7191 1130.7450 79.1798 1144.0204 168.1595 1149.5604 52.0604 1204.9765 14.4718 1298.5341 651.5478 1329.5700 5.6769 1368.3761 20.4436 1375.8713 19.1826 1380.5226 61.6572 1399.6654 238.2236 1430.8756 7.8224 1450.1841 16.9986 1517.9241 2.1948 1524.9797 6.2778 1535.3226 0.8205 1620.3529 105.2338 1657.8563 1.9850 1671.9476 106.1359 1796.2511 213.3557 2248.7409 3.4287 3071.9503 10.0813 3093.2696 5.0599 3148.4022 17.8550 3158.1255 11.0206 3233.9566 0.7848 3240.5277 0.5233 3256.3689 0.8645 3256.8290 0.9897 3493.4966 60.6919 > 1.44829 GHz 0.21383 GHz 0.19379 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$