NIST 08061405573D 1 1.00000 -0.26652 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 35 35 0 0 0 0 0 0 0 0999 V2000 0.1737 2.9159 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 1.5129 0.3058 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 1.3005 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 0.4867 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6413 3.2157 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 1.9432 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -0.8259 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 0.4959 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 -0.8809 1.7472 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 -2.0336 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 1.6257 1.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -0.6843 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 0.1013 2.4329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 -1.9215 1.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -3.2512 0.7899 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -1.9143 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 2.3991 1.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 1.7256 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 -3.1178 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 -4.1149 0.8598 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 -3.6737 -1.2206 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -2.8328 -0.2720 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 3.1704 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 3.5297 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 1.6502 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 0.2289 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 3.0491 -1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 2.6130 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 4.2674 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 1.6707 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 1.5643 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 3.0350 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 -0.6052 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 -4.0683 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2366 -3.2880 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 2 0 0 0 0 12 8 1 0 0 0 0 12 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 12 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 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. > 2014-08-06 > 29091-05-2 > PM6 > 6.7846 debye > -0.266518403765 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 27.4048 0.7416 37.7842 1.8415 44.1438 0.2139 68.4818 5.6903 80.8800 1.7098 85.1533 0.0620 100.7816 0.5707 108.7791 0.3055 114.7817 0.4018 119.3268 0.3069 138.0076 2.0286 145.5227 2.2591 165.7182 1.7467 177.0149 1.2612 203.4238 3.7154 220.2005 2.1987 247.3453 2.9159 277.8161 2.9650 284.0192 3.3881 313.6402 1.4012 331.6682 3.7627 370.5101 2.8694 381.8661 3.2210 399.1664 3.9400 423.6879 3.0138 432.0117 3.2653 447.1651 3.9261 464.6320 1.4138 489.4952 0.5116 499.7475 19.1417 512.9338 5.9156 555.3108 27.4126 568.2727 31.8498 599.2489 32.9675 623.4507 251.9959 658.6476 23.3462 670.6136 45.4563 717.0691 36.5599 726.2497 12.9528 750.0752 20.7504 784.1021 30.6028 789.7573 34.3182 838.2321 53.7982 845.2857 275.2168 850.2150 5.8323 896.8872 63.9367 951.1491 107.9960 967.2040 48.9632 978.2213 18.1584 1045.5014 117.3132 1067.4212 27.8062 1080.8650 23.1650 1107.1849 1.3817 1133.1536 9.3626 1140.0097 45.7291 1161.7381 15.5971 1174.0145 17.9624 1198.4518 13.7680 1231.1651 6.9700 1235.0535 62.1964 1240.2879 23.6886 1240.8701 28.3720 1246.0817 56.5222 1249.1390 52.9528 1259.5745 44.9505 1263.9285 234.7252 1275.2086 316.9821 1281.3303 15.9745 1290.0911 111.7689 1318.3320 36.6465 1327.4785 93.0465 1335.0491 114.0836 1339.1241 154.9923 1363.7989 256.9862 1375.2171 240.4201 1397.5021 505.7762 1417.4770 791.9497 1451.6097 613.8228 1464.6183 42.3746 1526.4160 112.7847 1559.0439 252.6604 1608.9380 639.9415 1626.9767 825.1239 1644.5498 236.6165 1686.6822 484.3683 1699.8163 1059.6917 2579.4252 103.9429 2614.0497 50.6350 2626.3573 347.0945 2672.6896 43.0842 2680.0576 32.8485 2683.4313 117.7058 2686.5498 127.4627 2691.7043 125.6234 2692.8872 49.9123 2695.2710 57.6982 2781.7788 47.6640 2787.1711 39.4227 2789.4288 259.9167 > 0.34940 GHz 0.22868 GHz 0.17916 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$