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	hartrees
Energy at 0K	-174.291372
Energy at 298.15K	-174.284876
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2955	45.76
2	A₁	2937	2820	193.74
3	A₁	1533	1472	17.04
4	A₁	1510	1450	0.83
5	A₁	1224	1175	15.15
6	A₁	841	808	20.16
7	A₁	355	341	9.28
8	A₂	3114	2991	0.00
9	A₂	1520	1459	0.00
10	A₂	1083	1040	0.00
11	A₂	262	252	0.00
12	E	3119	2995	52.10
12	E	3119	2995	52.09
13	E	3072	2950	35.03
13	E	3072	2950	35.04
14	E	2920	2805	47.48
14	E	2920	2805	47.49
15	E	1542	1481	6.06
15	E	1542	1481	6.06
16	E	1510	1450	10.77
16	E	1510	1450	10.76
17	E	1467	1409	2.61
17	E	1467	1409	2.61
18	E	1323	1270	13.04
18	E	1323	1270	13.04
19	E	1136	1090	9.46
19	E	1136	1090	9.46
20	E	1072	1029	22.58
20	E	1072	1029	22.58
21	E	425	408	0.02
21	E	425	408	0.02
22	E	274	263	0.71
22	E	274	263	0.71

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	1.7830	1.7830	3.0728	3.7506	3.7506	3.0728	2.9485
H6	2.1502	2.7393	1.1094	2.7393	2.6076		2.6076	3.7506	3.0728	1.7830	1.7830	3.0728	3.7506	2.9485
H7	2.1502	2.7393	2.7393	1.1094	2.6076	2.6076		3.0728	3.7506	3.7506	3.0728	1.7830	1.7830	2.9485
H8	2.0960	1.0958	3.3534	2.6417	1.7830	3.7506	3.0728		1.7737	3.6297	4.1755	3.6297	2.4018	2.3391
H9	2.0960	1.0958	2.6417	3.3534	1.7830	3.0728	3.7506	1.7737		2.4018	3.6297	4.1755	3.6297	2.3391
H10	2.0960	2.6417	1.0958	3.3534	3.0728	1.7830	3.7506	3.6297	2.4018		1.7737	3.6297	4.1755	2.3391
H11	2.0960	3.3534	1.0958	2.6417	3.7506	1.7830	3.0728	4.1755	3.6297	1.7737		2.4018	3.6297	2.3391
H12	2.0960	3.3534	2.6417	1.0958	3.7506	3.0728	1.7830	3.6297	4.1755	3.6297	2.4018		1.7737	2.3391
H13	2.0960	2.6417	3.3534	1.0958	3.0728	3.7506	1.7830	2.4018	3.6297	4.1755	3.6297	1.7737		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	C3	N1	C4	111.575
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: G3B3

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	CHELPG	AIM	ESP
1	N	-0.350	-0.375	-1.001	-0.233
2	C	-0.292	-0.030	0.317	-0.271
3	C	-0.292	-0.010	0.317	-0.243
4	C	-0.292	-0.010	0.317	-0.199
5	H	0.115	0.033	-0.013	0.097
6	H	0.115	0.028	-0.013	0.090
7	H	0.115	0.028	-0.013	0.082
8	H	0.147	0.060	0.015	0.124
9	H	0.147	0.060	0.015	0.120
10	H	0.147	0.055	0.015	0.116
11	H	0.147	0.054	0.015	0.114
12	H	0.147	0.054	0.015	0.100
13	H	0.147	0.055	0.015	0.102

	x	y	z	Total
	0.000	0.000	-0.572	0.572
CHELPG	0.000	0.000	-0.615	0.615
AIM	0.000	0.000	-0.448	0.448
ESP	0.008	0.010	0.637	0.637

<r²>	90.598
(<r²>)^1/2	9.518

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

using model chemistry: G3B3

States and conformations

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