NIST 08031214543D 1 1.00000 -2896.81515 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 19 0 0 0 0 0 0 0 0999 V2000 6.2805 1.7059 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8108 0.4713 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 -0.6067 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5999 -0.4113 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 0.8087 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.8775 -0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 -1.5393 0.2132 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8606 4.6738 -0.4212 As 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 3.0606 -1.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 5.4937 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 5.0700 -1.5196 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -1.3447 0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 -2.6084 0.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9321 2.5369 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8879 0.3474 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3639 -1.5754 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 0.9260 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 4.8099 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 5.1449 -2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 8 11 1 0 7 12 2 0 7 13 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 1 14 1 0 2 15 1 0 3 16 1 0 5 17 1 0 10 18 1 0 11 19 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. > 2012-08-03 > 618-07-5 > B3LYP/6-31G* > 3.7418 debye > -2896.81514711 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.5266 0.8209 41.7376 0.6572 55.5604 0.9216 86.6726 1.1961 136.4032 20.9076 168.3840 2.3907 195.0687 28.9250 222.2338 7.4784 238.6745 10.0737 274.1528 54.2476 303.5371 15.3796 363.9147 8.7432 405.8910 42.7436 414.9862 124.7309 446.7129 1.2284 513.8088 18.9036 545.8385 2.6311 577.9219 6.5976 654.8993 71.4820 690.6940 20.3031 691.9004 7.0072 698.4212 107.8813 713.9785 97.6130 754.8065 36.9451 822.5442 18.7033 835.1779 133.4060 916.8311 20.1565 946.1316 1.1333 961.7348 93.6447 998.5464 1.5208 1005.0774 73.7637 1018.4451 6.8784 1024.4143 156.2878 1104.9981 19.1450 1117.5320 9.0874 1199.7492 1.5473 1269.6802 237.9996 1315.3618 86.1563 1364.8270 17.3402 1399.6492 280.5312 1488.0701 4.2793 1525.4921 107.8966 1625.4997 213.3659 1640.6900 107.3392 1676.2046 16.9873 3205.8687 8.1157 3220.2297 2.3199 3260.0548 2.2906 3261.9265 4.8272 3707.8507 57.2219 3717.7128 56.5897 > 1.64232 GHz 0.26471 GHz 0.23465 GHz > Gaussian 09, Revision C.01 > Jeffrey Qiu $$$$