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	hartrees
Energy at 0K	-174.474402
Energy at 298.15K	-174.485017
Nuclear repulsion energy	138.268597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2947	45.66
2	A₁	2936	2813	193.80
3	A₁	1532	1468	17.21
4	A₁	1511	1447	0.65
5	A₁	1223	1172	15.25
6	A₁	841	806	20.17
7	A₁	350	335	9.22
8	A₂	3114	2983	0.00
9	A₂	1520	1456	0.00
10	A₂	1083	1038	0.00
11	A₂	264	253	0.00
12	E	3119	2988	51.81
12	E	3119	2988	51.81
13	E	3071	2942	35.37
13	E	3071	2942	35.36
14	E	2919	2797	47.48
14	E	2919	2797	47.48
15	E	1542	1477	5.89
15	E	1542	1477	5.89
16	E	1510	1447	10.86
16	E	1510	1447	10.86
17	E	1468	1406	2.64
17	E	1468	1406	2.64
18	E	1322	1267	12.98
18	E	1322	1267	12.98
19	E	1136	1088	9.41
19	E	1136	1088	9.41
20	E	1072	1027	22.77
20	E	1072	1027	22.77
21	E	427	409	0.02
21	E	427	409	0.02
22	E	272	261	0.70
22	E	272	261	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.371
C2	0.000	1.389	-0.061
C3	1.203	-0.694	-0.061
C4	-1.203	-0.694	-0.061
H5	0.000	1.505	-1.164
H6	1.304	-0.753	-1.164
H7	-1.304	-0.753	-1.164
H8	-0.887	1.899	0.332
H9	0.887	1.899	0.332
H10	2.088	-0.181	0.332
H11	1.201	-1.717	0.332
H12	-1.201	-1.717	0.332
H13	-2.088	-0.181	0.332
X14	0.000	0.000	1.371

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4545	1.4545	1.4545	2.1502	2.1502	2.1502	2.0960	2.0960	2.0960	2.0960	2.0960	2.0960	1.0000
C2	1.4545		2.4056	2.4056	1.1094	2.7393	2.7393	1.0958	1.0958	2.6417	3.3534	3.3534	2.6417	1.9949
C3	1.4545	2.4056		2.4056	2.7393	1.1094	2.7393	3.3534	2.6417	1.0958	1.0958	2.6417	3.3534	1.9949
C4	1.4545	2.4056	2.4056		2.7393	2.7393	1.1094	2.6417	3.3534	3.3534	2.6417	1.0958	1.0958	1.9949
H5	2.1502	1.1094	2.7393	2.7393		2.6076	2.6076	1.7831	1.7831	3.0728	3.7507	3.7507	3.0728	2.9485
H6	2.1502	2.7393	1.1094	2.7393	2.6076		2.6076	3.7507	3.0728	1.7831	1.7831	3.0728	3.7507	2.9485
H7	2.1502	2.7393	2.7393	1.1094	2.6076	2.6076		3.0728	3.7507	3.7507	3.0728	1.7831	1.7831	2.9485
H8	2.0960	1.0958	3.3534	2.6417	1.7831	3.7507	3.0728		1.7738	3.6298	4.1756	3.6298	2.4018	2.3391
H9	2.0960	1.0958	2.6417	3.3534	1.7831	3.0728	3.7507	1.7738		2.4018	3.6298	4.1756	3.6298	2.3391
H10	2.0960	2.6417	1.0958	3.3534	3.0728	1.7831	3.7507	3.6298	2.4018		1.7738	3.6298	4.1756	2.3391
H11	2.0960	3.3534	1.0958	2.6417	3.7507	1.7831	3.0728	4.1756	3.6298	1.7738		2.4018	3.6298	2.3391
H12	2.0960	3.3534	2.6417	1.0958	3.7507	3.0728	1.7831	3.6298	4.1756	3.6298	2.4018		1.7738	2.3391
H13	2.0960	2.6417	3.3534	1.0958	3.0728	3.7507	1.7831	2.4018	3.6298	4.1756	3.6298	1.7738		2.3391
X14	1.0000	1.9949	1.9949	1.9949	2.9485	2.9485	2.9485	2.3391	2.3391	2.3391	2.3391	2.3391	2.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.309	N1	C2	H8	109.745
N1	C2	H9	109.745	N1	C3	H6	113.309
N1	C3	H10	109.745	N1	C3	H11	109.745
N1	C4	H7	113.309	N1	C4	H12	109.745
N1	C4	H13	109.745	C2	N1	C3	111.575
C2	N1	C4	111.575	C2	N1	X14	107.276
C3	N1	C4	111.575	C3	N1	X14	107.276
C4	N1	X14	107.276	H5	C2	H8	107.911
H5	C2	H9	107.911	H6	C3	H10	107.911
H6	C3	H11	107.911	H7	C4	H12	107.911
H7	C4	H13	107.911	H8	C2	H9	108.067
H10	C3	H11	108.067	H12	C4	H13	108.067

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

using model chemistry: B3LYPultrafine/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	-0.350
2	C	-0.292
3	C	-0.292
4	C	-0.292
5	H	0.115
6	H	0.115
7	H	0.115
8	H	0.147
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.147
13	H	0.147

<r²>	90.598
(<r²>)^1/2	9.518

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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