NIST 06301521423D 1 1.00000 -388.30643 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 3.4970 1.8691 1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 3.2708 1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 4.1629 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 3.8525 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 1.0946 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 1.1815 1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 3.4508 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 3.0744 1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0659 1.6823 1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 2.0876 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 4.5294 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 5.0566 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 4.9376 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 0.0100 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 0.8397 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 0.2724 1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 4.0790 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 3.3045 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 3.5489 1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 1.0604 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 1.6035 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9977 2.2322 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 2 1 0 0 0 0 4 13 1 0 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 1 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 4 2 0 0 0 0 8 19 1 0 0 0 0 9 8 1 0 0 0 0 9 20 1 0 0 0 0 10 6 1 0 0 0 0 10 21 1 0 0 0 0 10 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. > 2015-06-30 > 119-64-2 > B3LYP/6-31G* > 0.5890 debye > -388.306433277 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 99.2341 0.1579 147.3149 0.0004 264.1401 3.2984 308.9642 0.1784 344.8617 0.1366 436.0862 0.4455 442.7300 2.8046 458.6363 0.3885 513.8636 0.1603 590.9160 0.1269 598.0316 0.3806 715.9506 0.3856 737.5217 0.3550 761.9423 36.0913 816.7317 3.1927 838.3093 1.9136 879.4654 0.3849 887.1453 0.1752 921.5042 0.8104 953.5040 0.5272 956.6583 2.3921 980.9852 0.0000 1001.3690 0.7296 1064.2420 1.0038 1088.6877 1.2885 1114.6063 0.7222 1143.1615 2.0666 1167.8968 1.0329 1194.0721 0.0879 1196.5832 0.0487 1208.7688 0.1730 1231.5779 0.5418 1275.2672 0.4757 1289.0404 7.1318 1326.2649 4.2024 1349.0316 1.0019 1381.4580 0.0873 1391.7446 1.4797 1393.1824 2.3069 1407.3391 9.4751 1497.9585 3.6690 1503.2399 0.2317 1510.8115 4.5425 1522.0994 3.8003 1532.8925 1.8787 1543.9973 16.8035 1637.4704 2.4192 1664.4178 0.3371 3010.5278 42.2892 3011.2771 3.2419 3029.7052 18.6922 3035.0138 28.9788 3062.6554 59.2333 3063.5961 17.8153 3079.5334 67.9721 3082.8249 58.1859 3165.8814 19.6624 3169.5033 1.5556 3187.7828 29.9649 3203.7133 32.6665 > 2.77141 GHz 1.11989 GHz 0.82449 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$