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	hartrees
Energy at 0K	-174.358974
Energy at 298.15K	-174.369488
Nuclear repulsion energy	137.535400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2959	60.11
2	A₁	2939	2814	211.56
3	A₁	1543	1478	25.37
4	A₁	1516	1452	2.99
5	A₁	1215	1164	9.96
6	A₁	826	791	19.74
7	A₁	308	295	14.66
8	A₂	3140	3007	0.00
9	A₂	1533	1468	0.00
10	A₂	1090	1044	0.00
11	A₂	258	247	0.00
12	E	3145	3012	46.58
12	E	3145	3012	46.58
13	E	3087	2956	33.07
13	E	3087	2956	33.06
14	E	2920	2797	65.94
14	E	2920	2797	65.95
15	E	1553	1488	8.16
15	E	1553	1488	8.16
16	E	1521	1457	15.05
16	E	1521	1457	15.05
17	E	1481	1418	0.09
17	E	1481	1418	0.09
18	E	1334	1277	10.05
18	E	1334	1277	10.06
19	E	1142	1094	11.92
19	E	1142	1094	11.92
20	E	1081	1035	24.54
20	E	1081	1035	24.55
21	E	425	407	0.10
21	E	425	407	0.10
22	E	248	238	1.07
22	E	248	238	1.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.328
C2	0.000	1.408	-0.055
C3	1.219	-0.704	-0.055
C4	-1.219	-0.704	-0.055
H5	0.000	1.565	-1.153
H6	1.356	-0.783	-1.153
H7	-1.356	-0.783	-1.153
H8	-0.886	1.901	0.358
H9	0.886	1.901	0.358
H10	2.089	-0.183	0.358
H11	1.203	-1.718	0.358
H12	-1.203	-1.718	0.358
H13	-2.089	-0.183	0.358
X14	0.000	0.000	1.328

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4586	1.4586	1.4586	2.1551	2.1551	2.1551	2.0975	2.0975	2.0975	2.0975	2.0975	2.0975	1.0000
C2	1.4586		2.4379	2.4379	1.1097	2.8002	2.8002	1.0949	1.0949	2.6579	3.3742	3.3742	2.6579	1.9731
C3	1.4586	2.4379		2.4379	2.8002	1.1097	2.8002	3.3742	2.6579	1.0949	1.0949	2.6579	3.3742	1.9731
C4	1.4586	2.4379	2.4379		2.8002	2.8002	1.1097	2.6579	3.3742	3.3742	2.6579	1.0949	1.0949	1.9731
H5	2.1551	1.1097	2.8002	2.8002		2.7114	2.7114	1.7833	1.7833	3.1151	3.8092	3.8092	3.1151	2.9337
H6	2.1551	2.8002	1.1097	2.8002	2.7114		2.7114	3.8092	3.1151	1.7833	1.7833	3.1151	3.8092	2.9337
H7	2.1551	2.8002	2.8002	1.1097	2.7114	2.7114		3.1151	3.8092	3.8092	3.1151	1.7833	1.7833	2.9337
H8	2.0975	1.0949	3.3742	2.6579	1.7833	3.8092	3.1151		1.7725	3.6325	4.1785	3.6325	2.4060	2.3109
H9	2.0975	1.0949	2.6579	3.3742	1.7833	3.1151	3.8092	1.7725		2.4060	3.6325	4.1785	3.6325	2.3109
H10	2.0975	2.6579	1.0949	3.3742	3.1151	1.7833	3.8092	3.6325	2.4060		1.7725	3.6325	4.1785	2.3109
H11	2.0975	3.3742	1.0949	2.6579	3.8092	1.7833	3.1151	4.1785	3.6325	1.7725		2.4060	3.6325	2.3109
H12	2.0975	3.3742	2.6579	1.0949	3.8092	3.1151	1.7833	3.6325	4.1785	3.6325	2.4060		1.7725	2.3109
H13	2.0975	2.6579	3.3742	1.0949	3.1151	3.8092	1.7833	2.4060	3.6325	4.1785	3.6325	1.7725		2.3109
X14	1.0000	1.9731	1.9731	1.9731	2.9337	2.9337	2.9337	2.3109	2.3109	2.3109	2.3109	2.3109	2.3109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.395	N1	C2	H8	109.628
N1	C2	H9	109.628	N1	C3	H6	113.395
N1	C3	H10	109.628	N1	C3	H11	109.628
N1	C4	H7	113.395	N1	C4	H12	109.628
N1	C4	H13	109.628	C2	N1	C3	113.373
C2	N1	C4	113.373	C2	N1	X14	105.213
C3	N1	C4	113.373	C3	N1	X14	105.213
C4	N1	X14	105.213	H5	C2	H8	107.980
H5	C2	H9	107.980	H6	C3	H10	107.980
H6	C3	H11	107.980	H7	C4	H12	107.980
H7	C4	H13	107.980	H8	C2	H9	108.080
H10	C3	H11	108.080	H12	C4	H13	108.080

All results from a given calculation for N(CH₃)₃ (Trimethylamine)

using model chemistry: B3PW91/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.453
2	C	-0.309
3	C	-0.309
4	C	-0.309
5	H	0.128
6	H	0.128
7	H	0.128
8	H	0.166
9	H	0.166
10	H	0.166
11	H	0.166
12	H	0.166
13	H	0.166

<r²>	91.821
(<r²>)^1/2	9.582

All results from a given calculation for N(CH3)3 (Trimethylamine)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for N(CH₃)₃ (Trimethylamine)