NIST 06301519203D 1 1.00000 -275.18549 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 5.5715 1.5976 1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 1.7735 2.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 1.1326 2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 1.7416 0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 1.2510 3.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 1.2244 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.9371 2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 0.5355 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 2.0715 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5135 2.0440 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 1.3466 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 2.8458 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 0.0618 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 2.8380 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 1.4854 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 0.5952 4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 2.2819 3.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 1.9429 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 0.3031 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4296 -0.1131 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.5355 2.9485 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 5 1 0 0 0 0 3 13 1 0 0 0 0 4 3 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 4 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 6 1 0 0 0 0 7 20 1 0 0 0 0 7 21 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 > 1640-89-7 > B3LYP/6-31G* > 0.0450 debye > -275.185486989 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.7436 0.0006 105.0886 0.0020 150.6890 0.0163 212.1569 0.0258 258.8471 0.0016 385.7425 0.2047 427.2090 0.0748 543.0207 0.4168 629.9772 0.2887 759.1739 0.3300 794.4802 2.9202 827.8246 0.1943 869.0579 0.5058 897.2663 1.1718 949.3491 1.1450 954.3140 2.5220 971.7896 0.1080 990.3704 0.5909 1039.4203 0.3422 1056.9823 0.0492 1068.0260 0.4872 1120.8508 0.0193 1159.8361 0.8943 1218.2983 0.6822 1228.6052 0.4284 1251.6587 1.3084 1271.0948 0.4721 1305.5969 0.7738 1311.7437 0.7723 1335.4148 2.9480 1345.7250 0.3244 1354.4255 0.1452 1369.4455 2.0460 1390.0475 2.4243 1416.3763 0.7748 1441.4633 2.1704 1514.2129 0.0589 1516.9224 0.1636 1525.4111 1.0184 1527.3207 3.8761 1531.8531 3.6765 1538.1441 4.2904 1550.7275 0.2830 2991.1228 11.6382 3018.3218 20.6228 3026.1259 18.9472 3035.9315 62.1224 3043.7516 27.9564 3051.4315 32.2881 3052.3079 16.0923 3064.8311 56.7741 3081.8018 41.2407 3091.6121 9.3262 3096.0364 16.7098 3107.0077 39.2277 3111.1387 111.3183 3115.0936 44.5905 > 5.39601 GHz 1.63526 GHz 1.35823 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$