1-Hexadecanamine, N,N-dimethyl- NIST 07021319213D 1 1.00000 -764.18026 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 58 57 0 0 0 0 0 0 0 0999 V2000 14.1130 -0.2351 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8027 1.1824 -0.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3815 1.4174 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2751 1.7153 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2842 3.2464 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9445 3.7670 2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9645 5.2980 2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6234 5.8183 3.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6634 7.3492 4.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3172 7.8657 5.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3767 9.3962 5.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0262 9.9093 6.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1011 11.4393 6.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7476 11.9498 8.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8327 13.4794 8.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4778 13.9880 9.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5688 15.5171 9.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2147 16.0246 10.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3041 17.5523 10.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1932 -0.3890 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8087 -0.5925 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6070 -0.8661 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 2.4893 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0927 1.0149 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7386 0.9412 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3042 1.3585 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6883 1.3075 2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2602 3.6387 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8157 3.6317 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9757 3.3881 2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4196 3.3547 3.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9345 5.6798 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4924 5.7102 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 5.4251 3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0875 5.4145 4.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6394 7.7450 3.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2051 7.7517 3.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3365 7.4589 5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7680 7.4724 6.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3586 9.8052 5.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9309 9.7884 4.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0405 9.4918 6.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4663 9.5244 7.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 11.8584 6.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6646 11.8235 5.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7584 11.5252 8.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1804 11.5705 8.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8225 13.9051 8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4020 13.8583 7.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4866 13.5593 9.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9067 13.6115 10.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5604 15.9474 9.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1404 15.8946 8.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2220 15.5942 10.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6431 15.6489 11.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7730 17.8813 11.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3089 18.0110 10.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8971 17.9557 10.0518 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 4 5 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 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 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 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2013-07-02 > 112-69-6 > 1-Hexadecanamine, N,N-dimethyl- Hexadecylamine, N,N-dimethyl- Adma 16 At 1695 > B3LYP/6-31G* > 0.5171 debye > -764.180263151 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.3373 0.0023 16.4268 0.0031 26.2935 0.0205 29.6116 0.0641 44.2201 0.0126 45.4337 0.0597 51.6248 0.0221 76.1044 0.0316 80.6116 0.0611 85.4034 0.0209 106.3729 0.0494 110.1797 0.0562 120.8992 0.0154 133.7874 0.0333 137.6670 0.1547 138.0494 0.0068 156.6218 0.0617 159.1885 0.0133 171.4089 0.0116 175.2761 0.0020 197.1744 0.1218 235.8930 0.5336 251.1675 0.0066 252.3379 0.1642 260.8317 0.7462 277.0045 0.4567 325.6648 0.5814 348.6256 0.7466 378.0667 5.3304 388.6006 0.0208 432.8742 0.0447 448.4488 0.5017 481.3324 0.4824 499.1913 0.6688 518.3672 0.2589 531.4736 1.0223 736.9725 1.9643 737.4347 3.0671 738.0127 5.5736 741.0067 0.0228 747.9497 0.9775 760.5175 0.0180 780.4333 0.4255 807.0590 0.0466 841.7916 0.7301 858.9305 18.1359 882.0259 0.8734 904.5090 1.5372 924.3210 0.1615 966.9958 0.2798 984.6685 0.2145 990.4512 0.5311 1004.8829 0.5593 1008.9439 0.3761 1016.7119 4.2141 1036.1729 0.3229 1040.0144 3.5113 1044.0823 0.3352 1055.7640 3.3856 1067.3430 4.2350 1070.2767 0.2872 1071.1264 2.5034 1071.7012 5.7155 1072.8636 12.9932 1074.2581 0.3098 1074.8651 0.0398 1080.4791 6.2906 1086.2007 17.3022 1119.4984 0.7441 1135.5516 5.7461 1151.6626 6.0807 1154.2291 5.8963 1204.5086 11.4593 1220.8086 0.4216 1225.3122 4.9460 1234.1748 2.5200 1245.3246 3.1857 1254.0191 1.7143 1266.2583 2.9585 1276.0197 3.2049 1287.5403 2.2683 1298.6733 0.7674 1308.3698 1.3637 1313.2212 14.0802 1321.5554 0.4727 1328.1752 1.0433 1334.6603 0.0901 1337.6564 0.3783 1339.8441 0.5871 1343.6563 0.4164 1347.2825 0.3171 1349.4947 0.2055 1351.2012 0.1973 1354.5686 0.2243 1355.1956 0.5621 1359.0584 7.4343 1372.6309 0.7984 1392.4555 0.2444 1408.2478 1.1684 1419.3290 0.0263 1422.8242 0.1046 1424.3001 0.2477 1425.8845 0.1301 1426.5833 0.3943 1438.9928 22.2127 1440.7818 1.0053 1469.0295 2.2171 1498.4513 0.3595 1512.2671 0.1743 1512.3951 0.0029 1513.4429 4.1966 1514.0736 3.3892 1514.1895 1.7699 1516.0448 1.3175 1516.2920 0.6834 1517.6217 0.8385 1518.2824 0.5278 1521.3467 1.8423 1525.1065 1.2008 1528.6772 3.4109 1529.7240 5.4092 1529.9280 8.1336 1532.2817 1.2201 1536.0926 1.0140 1539.3661 3.3938 1541.1902 1.9169 1543.5702 1.6981 1545.7191 0.0159 1546.6063 9.4358 2897.9336 48.1299 2921.0686 43.6702 2933.7419 172.3626 3008.2452 0.1289 3008.3599 0.0163 3009.4126 0.4834 3009.8967 0.1212 3011.1118 0.0252 3012.1676 0.2096 3013.2581 2.7379 3014.0503 0.4061 3016.2894 0.0633 3020.1275 7.9153 3023.9243 2.4588 3027.0219 36.5031 3028.8803 324.2444 3029.6341 0.7818 3029.7276 0.1931 3030.2987 0.4923 3031.6864 0.2964 3034.0975 0.1280 3037.6364 3.1880 3039.0270 34.4418 3040.9970 44.8557 3042.6296 0.7488 3048.8528 1.1077 3053.5533 30.2584 3055.8536 3.7675 3062.1603 0.5107 3068.1529 16.2012 3073.3224 5.7779 3073.7957 32.1413 3077.5392 299.5095 3084.5950 88.6577 3087.5690 97.0055 3105.5287 70.3637 3110.2018 45.8972 3117.9216 40.9682 3133.0945 38.9588 > 3.38315 GHz 0.03945 GHz 0.03925 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$