NIST 08101209283D 1 1.00000 -741.14643 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 17 0 0 0 0 0 0 0 0999 V2000 6.8421 -2.7205 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -3.0434 -0.0317 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -1.4142 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 -1.2322 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -0.4077 0.5107 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 -2.3706 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -0.0223 -0.1685 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 0.7997 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 0.9922 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3533 -3.6856 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3305 -2.0080 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -2.3320 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 -1.9982 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -2.8283 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -3.1637 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2307 1.6217 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 1.9728 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 6 1 0 3 5 2 0 5 8 1 0 8 9 2 0 9 7 1 0 7 4 2 0 3 4 1 0 1 10 1 0 1 11 1 0 1 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 8 16 1 0 9 17 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. > 2012-08-10 > 2882-20-4 > B3LYP/6-31G* > 1.1554 debye > -741.146431499 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 75.4985 2.4217 120.4084 0.2145 143.7765 0.8616 151.2866 0.1667 182.4315 2.7403 268.4940 0.3939 271.0183 3.3348 424.0141 2.9113 436.3354 2.8221 465.7019 10.0775 535.0766 0.6283 580.5952 2.0750 685.3712 2.0962 718.5477 1.9589 775.9830 0.0297 865.3298 7.6666 866.3226 11.5347 967.1443 0.0712 994.6265 3.7664 995.3209 3.9706 1008.1454 17.7788 1069.4046 2.9390 1093.1136 41.0725 1121.8778 72.6425 1236.5508 31.7772 1255.4405 5.0418 1299.3871 1.1374 1386.3017 6.1037 1401.0861 89.2877 1435.2805 15.4119 1483.2738 7.7426 1487.3792 7.5089 1501.7388 10.7341 1508.5705 9.2343 1513.6442 13.4666 1586.4573 40.7187 1604.5653 4.1074 3045.3287 7.9002 3082.4777 16.2965 3095.7772 10.1275 3159.5168 7.5023 3173.4190 5.7439 3179.8667 4.2771 3181.2089 3.8809 3199.2833 48.7310 > 2.33732 GHz 1.20727 GHz 0.80410 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$