10-Nonadecanamine NIST 11071316233D 1 1.00000 -803.50364 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 61 60 0 0 0 0 0 0 0 0999 V2000 7.6177 0.9306 0.3159 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -0.4828 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5181 -0.6226 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 -1.4806 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2255 -0.2246 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -0.3634 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4822 0.0529 2.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0081 -0.0768 2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 0.3509 3.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2673 0.2264 3.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0018 0.6617 4.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 -4.5920 3.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 -3.5617 2.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -4.5889 3.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -3.5619 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.5334 1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -2.5262 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 -1.5027 0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 -5.6216 4.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5251 0.5371 4.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 1.0625 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 1.1798 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6494 -0.7281 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7746 -1.6633 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9081 0.0016 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6781 -2.4908 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5715 -1.2467 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9807 0.8183 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -0.8378 2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -1.4054 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1203 0.2432 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 1.0937 2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1173 -0.5554 3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 -1.1186 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3709 0.5267 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4773 1.3922 4.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3809 -0.2535 4.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5333 -0.8154 3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6276 0.8277 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7354 1.7026 5.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6435 0.0602 5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -5.5969 3.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 -4.4032 4.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -2.5576 2.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -3.7525 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 -3.5854 3.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -4.7770 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 -4.5663 2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -3.3680 3.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1772 -1.5297 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -2.7312 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 -3.5307 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -2.3216 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 -0.5035 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4775 -1.7173 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -5.5931 4.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 -6.6392 4.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -5.4392 5.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 0.8592 5.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8259 -0.4999 4.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9167 1.1528 4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 3 5 1 0 4 18 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 20 1 0 12 13 1 0 12 14 1 0 13 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 20 61 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 > 3241-23-4 > 10-Nonadecanamine Decylamine, 1-nonyl- 1-Nonyldecylamine > B3LYP/6-31G* > 1.3389 debye > -803.503642828 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.6752 0.0035 23.8783 0.1065 30.2887 0.0103 33.3580 0.0177 42.4857 0.0727 50.7774 0.0258 55.4567 0.0693 66.9403 0.2756 81.3111 0.0543 84.6134 0.0899 93.9837 0.0024 109.0504 0.1044 120.4806 0.2747 123.4945 0.1728 129.8051 0.0959 137.2556 0.0351 145.4913 0.0902 162.5335 0.5853 164.3649 0.0256 168.0384 0.0076 171.2856 0.0929 195.5245 0.0742 218.1664 0.3478 233.4868 0.1129 248.0175 0.0009 253.4996 0.0020 287.8023 49.7735 301.5595 5.5244 334.5177 0.1490 351.5548 8.2046 370.2499 2.8702 404.7494 1.6118 453.1720 6.4828 458.0386 0.2734 486.0929 0.0507 487.4440 0.2770 512.7941 3.0334 631.4105 4.3952 737.8998 5.3568 739.3880 0.2815 739.9408 5.1014 742.0363 0.1045 748.6837 0.5354 752.9168 1.5543 776.2547 1.0467 780.5688 0.2789 824.3252 0.7824 832.1313 0.2019 851.2632 11.3283 891.9083 95.5979 900.5368 1.4500 903.6766 6.8053 904.5285 2.5744 912.4650 66.8221 962.5568 2.8100 969.6125 0.4896 998.0885 5.7600 1000.1627 0.7502 1006.6151 1.3115 1010.7645 3.8060 1021.6956 4.0426 1030.3925 0.5426 1043.1699 0.5041 1045.8144 0.3544 1059.9335 4.2756 1060.4348 0.0532 1065.9807 1.1250 1070.7052 0.2410 1071.2115 0.9938 1072.0534 0.1130 1072.7923 0.0911 1076.2204 0.5845 1080.5632 1.0523 1085.5568 0.2001 1142.7015 2.8494 1145.0110 0.3374 1168.0900 12.1284 1190.1878 21.2371 1217.5102 0.7909 1228.6882 0.8079 1229.0417 0.2117 1243.0860 3.1656 1251.8427 3.6125 1265.7645 2.4244 1269.1085 1.3792 1281.5085 1.7495 1292.5433 0.7138 1303.5203 1.2021 1307.6469 0.7265 1319.5398 0.9774 1331.2951 0.0262 1334.7641 0.4809 1337.3911 0.8636 1339.2229 0.4381 1339.8435 0.2336 1346.6477 0.5449 1348.4018 0.6832 1351.1015 0.4070 1352.0725 0.1664 1354.3865 0.3736 1357.1632 0.0764 1362.6180 1.2153 1373.6820 1.5858 1385.4125 7.8730 1403.8716 0.4413 1408.3179 4.6657 1416.5050 4.7837 1423.5156 0.2448 1424.2784 0.6176 1424.6905 0.2738 1425.3876 0.0630 1427.9438 4.3157 1437.2403 8.7762 1441.0062 0.9148 1441.2226 0.9479 1507.0198 3.3113 1510.6184 0.6644 1513.4149 0.0644 1513.5753 0.0727 1513.8546 0.3664 1514.6587 0.2996 1516.8679 0.1790 1517.1039 0.1467 1519.2365 0.2254 1520.4791 0.0857 1526.3358 0.5364 1527.4136 0.3360 1529.6017 5.6904 1530.1077 5.7053 1534.1442 0.7832 1535.1250 0.3727 1540.7842 0.2953 1541.6213 0.1714 1545.1446 4.1777 1545.9282 4.1063 1698.9900 26.5645 3008.1012 0.4843 3008.8128 0.2380 3009.5661 1.0533 3009.8899 0.9742 3010.7448 1.7878 3011.5883 2.1016 3012.5305 0.0825 3013.5533 0.3262 3014.5448 0.0983 3016.3745 3.9314 3020.5861 8.7025 3021.2921 14.0494 3025.1347 46.5825 3026.8294 14.6891 3028.4526 82.8669 3028.8599 177.2114 3029.9393 0.9029 3030.4355 14.4825 3030.6358 50.4915 3031.8927 3.5843 3032.4828 35.7101 3035.6105 17.0935 3038.7177 4.9421 3041.0324 49.0910 3041.0611 39.6947 3042.7106 6.8902 3047.5176 3.7409 3052.2620 6.1584 3057.3993 5.6610 3061.3650 18.3065 3065.7205 3.2208 3069.7924 1.7322 3073.8422 103.5545 3076.7637 241.3342 3084.9065 144.6389 3105.5818 69.6246 3105.6918 70.5471 3110.1872 45.8901 3110.5054 45.5489 3460.5313 2.2576 3547.3026 2.0089 > 0.57654 GHz 0.04513 GHz 0.04245 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$