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	hartrees
Energy at 0K	-174.421439
Energy at 298.15K	-174.432054
Nuclear repulsion energy	138.648657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	2953	49.42
2	A₁	2942	2820	177.43
3	A₁	1512	1449	21.11
4	A₁	1490	1428	1.19
5	A₁	1212	1161	14.05
6	A₁	853	818	20.85
7	A₁	350	336	9.15
8	A₂	3126	2996	0.00
9	A₂	1496	1434	0.00
10	A₂	1070	1026	0.00
11	A₂	261	250	0.00
12	E	3130	3000	45.34
12	E	3130	3000	45.34
13	E	3078	2950	32.31
13	E	3078	2950	32.31
14	E	2927	2806	52.10
14	E	2927	2806	52.09
15	E	1521	1458	7.91
15	E	1521	1458	7.91
16	E	1487	1426	11.22
16	E	1487	1426	11.22
17	E	1447	1386	1.30
17	E	1447	1386	1.30
18	E	1321	1266	13.60
18	E	1321	1266	13.59
19	E	1124	1078	10.48
19	E	1124	1078	10.48
20	E	1077	1032	18.72
20	E	1077	1032	18.72
21	E	422	404	0.03
21	E	422	404	0.03
22	E	273	262	0.69
22	E	273	262	0.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.372
C2	0.000	1.383	-0.061
C3	1.198	-0.692	-0.061
C4	-1.198	-0.692	-0.061
H5	0.000	1.500	-1.163
H6	1.299	-0.750	-1.163
H7	-1.299	-0.750	-1.163
H8	-0.885	1.895	0.331
H9	0.885	1.895	0.331
H10	2.084	-0.181	0.331
H11	1.198	-1.714	0.331
H12	-1.198	-1.714	0.331
H13	-2.084	-0.181	0.331
X14	0.000	0.000	1.372

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4494	1.4494	1.4494	2.1461	2.1461	2.1461	2.0921	2.0921	2.0921	2.0921	2.0921	2.0921	1.0000
C2	1.4494		2.3959	2.3959	1.1085	2.7299	2.7299	1.0950	1.0950	2.6347	3.3443	3.3443	2.6347	1.9916
C3	1.4494	2.3959		2.3959	2.7299	1.1085	2.7299	3.3443	2.6347	1.0950	1.0950	2.6347	3.3443	1.9916
C4	1.4494	2.3959	2.3959		2.7299	2.7299	1.1085	2.6347	3.3443	3.3443	2.6347	1.0950	1.0950	1.9916
H5	2.1461	1.1085	2.7299	2.7299		2.5975	2.5975	1.7810	1.7810	3.0656	3.7413	3.7413	3.0656	2.9455
H6	2.1461	2.7299	1.1085	2.7299	2.5975		2.5975	3.7413	3.0656	1.7810	1.7810	3.0656	3.7413	2.9455
H7	2.1461	2.7299	2.7299	1.1085	2.5975	2.5975		3.0656	3.7413	3.7413	3.0656	1.7810	1.7810	2.9455
H8	2.0921	1.0950	3.3443	2.6347	1.7810	3.7413	3.0656		1.7707	3.6228	4.1677	3.6228	2.3969	2.3365
H9	2.0921	1.0950	2.6347	3.3443	1.7810	3.0656	3.7413	1.7707		2.3969	3.6228	4.1677	3.6228	2.3365
H10	2.0921	2.6347	1.0950	3.3443	3.0656	1.7810	3.7413	3.6228	2.3969		1.7707	3.6228	4.1677	2.3365
H11	2.0921	3.3443	1.0950	2.6347	3.7413	1.7810	3.0656	4.1677	3.6228	1.7707		2.3969	3.6228	2.3365
H12	2.0921	3.3443	2.6347	1.0950	3.7413	3.0656	1.7810	3.6228	4.1677	3.6228	2.3969		1.7707	2.3365
H13	2.0921	2.6347	3.3443	1.0950	3.0656	3.7413	1.7810	2.3969	3.6228	4.1677	3.6228	1.7707		2.3365
X14	1.0000	1.9916	1.9916	1.9916	2.9455	2.9455	2.9455	2.3365	2.3365	2.3365	2.3365	2.3365	2.3365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.402	N1	C2	H8	109.832
N1	C2	H9	109.832	N1	C3	H6	113.402
N1	C3	H10	109.832	N1	C3	H11	109.832
N1	C4	H7	113.402	N1	C4	H12	109.832
N1	C4	H13	109.832	C2	N1	C3	111.485
C2	N1	C4	111.485	C2	N1	X14	107.374
C3	N1	C4	111.485	C3	N1	X14	107.374
C4	N1	X14	107.374	H5	C2	H8	107.849
H5	C2	H9	107.849	H6	C3	H10	107.849
H6	C3	H11	107.849	H7	C4	H12	107.849
H7	C4	H13	107.849	H8	C2	H9	107.906
H10	C3	H11	107.906	H12	C4	H13	107.906

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	-0.404
2	C	-0.222
3	C	-0.222
4	C	-0.222
5	H	0.097
6	H	0.097
7	H	0.097
8	H	0.130
9	H	0.130
10	H	0.130
11	H	0.130
12	H	0.130
13	H	0.130

<r²>	90.017
(<r²>)^1/2	9.488

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)