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	hartrees
Energy at 0K	-174.272305
Energy at 298.15K	-174.282813
Nuclear repulsion energy	137.988955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2992	2964	43.39
2	A₁	2835	2809	219.12
3	A₁	1448	1435	29.80
4	A₁	1429	1416	0.40
5	A₁	1160	1149	18.50
6	A₁	823	815	24.97
7	A₁	343	339	8.11
8	A₂	3034	3007	0.00
9	A₂	1436	1423	0.00
10	A₂	1033	1023	0.00
11	A₂	255	253	0.00
12	E	3038	3010	44.69
12	E	3038	3010	44.69
13	E	2989	2962	34.34
13	E	2989	2962	34.34
14	E	2816	2790	60.21
14	E	2816	2790	60.21
15	E	1462	1448	9.35
15	E	1462	1448	9.35
16	E	1427	1414	11.34
16	E	1427	1414	11.34
17	E	1388	1375	0.38
17	E	1388	1375	0.38
18	E	1265	1254	11.25
18	E	1265	1254	11.25
19	E	1081	1071	9.08
19	E	1081	1071	9.08
20	E	1036	1027	18.57
20	E	1036	1027	18.57
21	E	407	404	0.00
21	E	407	404	0.00
22	E	267	264	0.83
22	E	267	264	0.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.378
C2	0.000	1.389	-0.062
C3	1.202	-0.694	-0.062
C4	-1.202	-0.694	-0.062
H5	0.000	1.499	-1.173
H6	1.298	-0.749	-1.173
H7	-1.298	-0.749	-1.173
H8	-0.891	1.904	0.330
H9	0.891	1.904	0.330
H10	2.094	-0.180	0.330
H11	1.203	-1.723	0.330
H12	-1.203	-1.723	0.330
H13	-2.094	-0.180	0.330
X14	0.000	0.000	1.378

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4564	1.4564	1.4564	2.1568	2.1568	2.1568	2.1024	2.1024	2.1024	2.1024	2.1024	2.1024	1.0000
C2	1.4564		2.4050	2.4050	1.1171	2.7368	2.7368	1.1012	1.1012	2.6457	3.3593	3.3593	2.6457	2.0001
C3	1.4564	2.4050		2.4050	2.7368	1.1171	2.7368	3.3593	2.6457	1.1012	1.1012	2.6457	3.3593	2.0001
C4	1.4564	2.4050	2.4050		2.7368	2.7368	1.1171	2.6457	3.3593	3.3593	2.6457	1.1012	1.1012	2.0001
H5	2.1568	1.1171	2.7368	2.7368		2.5955	2.5955	1.7939	1.7939	3.0764	3.7535	3.7535	3.0764	2.9588
H6	2.1568	2.7368	1.1171	2.7368	2.5955		2.5955	3.7535	3.0764	1.7939	1.7939	3.0764	3.7535	2.9588
H7	2.1568	2.7368	2.7368	1.1171	2.5955	2.5955		3.0764	3.7535	3.7535	3.0764	1.7939	1.7939	2.9588
H8	2.1024	1.1012	3.3593	2.6457	1.7939	3.7535	3.0764		1.7818	3.6405	4.1882	3.6405	2.4064	2.3485
H9	2.1024	1.1012	2.6457	3.3593	1.7939	3.0764	3.7535	1.7818		2.4064	3.6405	4.1882	3.6405	2.3485
H10	2.1024	2.6457	1.1012	3.3593	3.0764	1.7939	3.7535	3.6405	2.4064		1.7818	3.6405	4.1882	2.3485
H11	2.1024	3.3593	1.1012	2.6457	3.7535	1.7939	3.0764	4.1882	3.6405	1.7818		2.4064	3.6405	2.3485
H12	2.1024	3.3593	2.6457	1.1012	3.7535	3.0764	1.7939	3.6405	4.1882	3.6405	2.4064		1.7818	2.3485
H13	2.1024	2.6457	3.3593	1.1012	3.0764	3.7535	1.7939	2.4064	3.6405	4.1882	3.6405	1.7818		2.3485
X14	1.0000	2.0001	2.0001	2.0001	2.9588	2.9588	2.9588	2.3485	2.3485	2.3485	2.3485	2.3485	2.3485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.217	N1	C2	H8	109.795
N1	C2	H9	109.795	N1	C3	H6	113.217
N1	C3	H10	109.795	N1	C3	H11	109.795
N1	C4	H7	113.217	N1	C4	H12	109.795
N1	C4	H13	109.795	C2	N1	C3	111.308
C2	N1	C4	111.308	C2	N1	X14	107.565
C3	N1	C4	111.308	C3	N1	X14	107.565
C4	N1	X14	107.565	H5	C2	H8	107.938
H5	C2	H9	107.938	H6	C3	H10	107.938
H6	C3	H11	107.938	H7	C4	H12	107.938
H7	C4	H13	107.938	H8	C2	H9	108.005
H10	C3	H11	108.005	H12	C4	H13	108.005

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

using model chemistry: PBEPBE/6-311G**

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	-0.306
2	C	-0.230
3	C	-0.230
4	C	-0.230
5	H	0.088
6	H	0.088
7	H	0.088
8	H	0.122
9	H	0.122
10	H	0.122
11	H	0.122
12	H	0.122
13	H	0.122

	x	y	z
x	7.326	0.000	0.000
y	0.000	7.326	-0.000
z	0.000	-0.000	6.355

<r²>	91.115
(<r²>)^1/2	9.545

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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