Benzenepropanamine, γ-phenyl- NIST 11071316233D 1 1.00000 -636.57902 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 33 34 0 0 0 0 0 0 0 0999 V2000 7.2331 2.8325 -0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0813 2.6488 -2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2918 1.6693 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 3.1801 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 2.5343 -3.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 2.3563 -4.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 0.3361 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 1.9328 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -0.6981 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -0.4189 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 0.9049 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 4.5163 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8617 2.1994 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 4.8680 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 3.8822 2.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 2.5462 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 3.7113 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7513 3.5161 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 1.7746 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 1.6556 -3.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 3.4144 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5975 2.2300 -5.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6942 3.2066 -4.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 0.0946 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 2.9608 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9751 -1.7235 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 -1.2231 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 1.1379 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7307 5.2920 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7461 1.1541 0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 5.9114 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5249 4.1510 3.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2682 1.7691 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 5 6 1 0 3 7 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 8 1 0 3 8 2 0 4 12 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 13 1 0 4 13 2 0 1 17 1 0 2 18 1 0 2 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 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. > 2013-11-07 > 5586-73-2 > Benzenepropanamine, γ-phenyl- Propylamine, 3,3-diphenyl- 1-Amino-3,3-diphenylpropane 3,3-Diphenyl-1-propanamine > B3LYP/6-31G* > 1.3755 debye > -636.579023638 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.0219 0.0764 35.7508 0.2601 64.1789 0.3806 68.3464 0.4123 83.9425 0.5314 102.1932 6.1974 204.4086 0.2835 228.6647 3.2098 242.3857 2.6103 265.2555 27.3781 284.1221 1.4608 289.4379 5.2165 339.4616 16.1294 416.5084 0.1519 418.0839 0.0766 482.6063 1.2554 493.5085 1.7367 574.5081 22.9332 603.1071 5.8834 634.4388 3.2302 635.2573 3.2963 644.7208 2.1845 714.4141 20.0670 717.7052 33.5772 751.7682 15.3228 769.9226 14.3225 785.3967 8.5351 834.7069 8.8302 856.4686 13.8830 858.6763 0.1312 861.9032 2.3485 887.7473 120.4433 921.0913 3.4582 930.8946 1.2517 965.0131 0.1619 968.7661 0.0463 990.9791 2.0982 994.1722 0.5878 994.8453 0.8650 1017.9207 1.2426 1018.2884 1.0618 1030.0328 6.1061 1060.3774 4.4902 1062.6754 4.0776 1078.0963 8.7659 1098.9535 8.9369 1111.0969 1.5558 1133.3502 1.5673 1171.7823 8.3587 1192.2594 0.1497 1193.0515 0.0551 1207.5278 0.2697 1216.4260 0.4185 1218.8127 0.0970 1221.3773 2.1664 1256.6776 3.9208 1293.8938 0.8588 1335.8669 3.5894 1345.3041 4.5042 1361.8057 0.6405 1366.4605 1.0196 1368.1712 2.0855 1385.1861 1.0357 1397.6742 4.3503 1448.2370 12.0107 1498.2856 8.7947 1502.1549 2.9012 1524.3207 6.4091 1544.3800 19.0048 1546.0962 3.9984 1548.5346 4.1934 1641.8503 2.8331 1643.3912 0.3996 1660.2884 12.8131 1665.2164 2.0920 1696.7950 23.3940 2938.1817 73.5325 3023.3937 17.7024 3039.0420 23.7652 3082.2408 13.0487 3096.0292 48.8215 3168.9788 10.0081 3174.1572 6.6242 3180.6310 0.1649 3182.2788 0.0747 3190.2754 18.2888 3192.0601 27.0132 3199.8869 29.7336 3201.6184 38.9994 3208.4112 25.1047 3209.6118 14.7961 3457.6799 4.2157 3543.0241 1.0554 > 0.60547 GHz 0.39549 GHz 0.28246 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$