NIST 06221417443D 1 1.00000 -394.32971 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 31 0 0 0 0 0 0 0 0999 V2000 0.1290 0.3132 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 1.1929 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 2.5938 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 3.6350 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 3.2364 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 4.4724 -2.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 5.0760 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 6.3114 -3.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 2.4290 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 4.0539 0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 -0.6879 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 0.7541 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 0.1950 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 0.6967 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 1.2691 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 3.0208 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 2.4836 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6093 4.5279 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 2.5985 -2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 5.2462 -1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 4.1922 -2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 4.3102 -4.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 5.3457 -2.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 6.7129 -4.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 7.1105 -3.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 6.0731 -4.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9919 2.0576 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 1.5655 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 3.0489 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 4.8418 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 4.4477 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 3.2197 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 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. > 2014-06-22 > R293471 > B3LYP/6-31G* > 0.0685 debye > -394.329706512 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 37.8694 0.0006 65.5972 0.0070 81.9549 0.0211 102.3702 0.0053 108.9812 0.0117 184.1043 0.0812 186.3196 0.0058 236.6665 0.0256 240.4031 0.0145 248.8646 0.0470 260.0541 0.0945 266.4922 0.1329 280.5949 0.0169 305.5095 0.0602 348.5156 0.0235 401.3250 0.2788 441.6672 0.0934 532.8429 0.8564 630.2603 1.1633 724.6177 1.1444 753.9661 3.3750 766.7252 0.6730 861.6886 0.8601 881.1817 1.0544 889.1189 0.9577 895.7095 0.3076 928.1953 3.4975 961.1107 0.5477 1002.5883 2.9308 1015.0047 0.0138 1026.9669 0.3359 1042.5358 0.8930 1056.9207 0.2809 1066.3376 0.3383 1096.4798 2.6929 1109.3798 2.6520 1168.7985 2.9955 1170.4643 7.7681 1194.3241 0.8432 1210.0858 1.2464 1270.8307 0.7579 1293.7675 0.7314 1310.7229 2.2175 1321.6603 3.1168 1339.6139 0.2482 1344.8079 0.7240 1360.3130 3.2794 1368.8629 1.1132 1389.2596 0.9504 1400.8135 0.8911 1419.0964 1.5531 1429.1830 0.6809 1440.1473 1.2024 1440.2670 1.3379 1442.7665 4.7594 1449.1185 10.6579 1510.4334 0.4269 1513.1675 2.1522 1520.2837 0.7250 1522.7962 0.0292 1527.4509 1.2032 1528.3633 8.6990 1528.8543 2.4087 1530.4939 4.3586 1538.4289 6.0122 1540.1219 1.3443 1540.7990 4.8571 1544.1847 1.8008 2996.2878 12.5655 3005.3624 15.0918 3014.6478 19.3700 3022.7231 36.7015 3029.7262 40.6808 3037.7091 18.9129 3038.9774 12.3788 3040.5666 68.0564 3040.7573 19.7163 3042.4027 26.1789 3046.6289 17.4484 3051.9741 36.1749 3066.5993 35.1159 3074.1758 25.9769 3103.7248 31.2299 3105.3804 27.0949 3106.4617 108.5219 3108.2992 43.0390 3109.7518 38.6081 3110.0618 49.5150 3119.5023 36.5869 3132.4224 38.7354 > 2.04898 GHz 0.54796 GHz 0.52318 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$