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	hartrees
Energy at 0K	-174.261053
Energy at 298.15K	-174.271595
Nuclear repulsion energy	138.066196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2995	2963	48.00
2	A₁	2838	2809	231.12
3	A₁	1469	1454	33.40
4	A₁	1447	1432	0.03
5	A₁	1170	1158	18.19
6	A₁	828	820	25.32
7	A₁	349	346	8.27
8	A₂	3036	3004	0.00
9	A₂	1453	1438	0.00
10	A₂	1043	1033	0.00
11	A₂	257	254	0.00
12	E	3040	3008	51.26
12	E	3040	3008	51.27
13	E	2991	2960	37.75
13	E	2991	2960	37.76
14	E	2818	2789	61.08
14	E	2818	2789	61.08
15	E	1479	1464	10.54
15	E	1479	1464	10.55
16	E	1446	1431	11.90
16	E	1446	1431	11.90
17	E	1405	1390	0.10
17	E	1405	1390	0.10
18	E	1273	1260	10.77
18	E	1273	1260	10.76
19	E	1093	1081	8.45
19	E	1093	1081	8.45
20	E	1042	1031	20.12
20	E	1042	1031	20.12
21	E	413	409	0.00
21	E	413	409	0.00
22	E	272	269	0.92
22	E	272	269	0.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.381
C2	0.000	1.387	-0.062
C3	1.201	-0.693	-0.062
C4	-1.201	-0.693	-0.062
H5	0.000	1.494	-1.174
H6	1.294	-0.747	-1.174
H7	-1.294	-0.747	-1.174
H8	-0.890	1.904	0.328
H9	0.890	1.904	0.328
H10	2.094	-0.181	0.328
H11	1.204	-1.723	0.328
H12	-1.204	-1.723	0.328
H13	-2.094	-0.181	0.328
X14	0.000	0.000	1.381

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4557	1.4557	1.4557	2.1562	2.1562	2.1562	2.1029	2.1029	2.1029	2.1029	2.1029	2.1029	1.0000
C2	1.4557		2.4017	2.4017	1.1170	2.7316	2.7316	1.1011	1.1011	2.6451	3.3575	3.3575	2.6451	2.0013
C3	1.4557	2.4017		2.4017	2.7316	1.1170	2.7316	3.3575	2.6451	1.1011	1.1011	2.6451	3.3575	2.0013
C4	1.4557	2.4017	2.4017		2.7316	2.7316	1.1170	2.6451	3.3575	3.3575	2.6451	1.1011	1.1011	2.0013
H5	2.1562	1.1170	2.7316	2.7316		2.5873	2.5873	1.7932	1.7932	3.0736	3.7488	3.7488	3.0736	2.9596
H6	2.1562	2.7316	1.1170	2.7316	2.5873		2.5873	3.7488	3.0736	1.7932	1.7932	3.0736	3.7488	2.9596
H7	2.1562	2.7316	2.7316	1.1170	2.5873	2.5873		3.0736	3.7488	3.7488	3.0736	1.7932	1.7932	2.9596
H8	2.1029	1.1011	3.3575	2.6451	1.7932	3.7488	3.0736		1.7805	3.6412	4.1888	3.6412	2.4083	2.3514
H9	2.1029	1.1011	2.6451	3.3575	1.7932	3.0736	3.7488	1.7805		2.4083	3.6412	4.1888	3.6412	2.3514
H10	2.1029	2.6451	1.1011	3.3575	3.0736	1.7932	3.7488	3.6412	2.4083		1.7805	3.6412	4.1889	2.3514
H11	2.1029	3.3575	1.1011	2.6451	3.7488	1.7932	3.0736	4.1888	3.6412	1.7805		2.4083	3.6412	2.3514
H12	2.1029	3.3575	2.6451	1.1011	3.7488	3.0736	1.7932	3.6412	4.1888	3.6412	2.4083		1.7805	2.3514
H13	2.1029	2.6451	3.3575	1.1011	3.0736	3.7488	1.7932	2.4083	3.6412	4.1889	3.6412	1.7805		2.3514
X14	1.0000	2.0013	2.0013	2.0013	2.9596	2.9596	2.9596	2.3514	2.3514	2.3514	2.3514	2.3514	2.3514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.225	N1	C2	H8	109.892
N1	C2	H9	109.892	N1	C3	H6	113.225
N1	C3	H10	109.892	N1	C3	H11	109.892
N1	C4	H7	113.225	N1	C4	H12	109.892
N1	C4	H13	109.892	C2	N1	C3	111.164
C2	N1	C4	111.164	C2	N1	X14	107.720
C3	N1	C4	111.164	C3	N1	X14	107.720
C4	N1	X14	107.720	H5	C2	H8	107.884
H5	C2	H9	107.884	H6	C3	H10	107.884
H6	C3	H11	107.884	H7	C4	H12	107.884
H7	C4	H13	107.884	H8	C2	H9	107.899
H10	C3	H11	107.899	H12	C4	H13	107.899

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	-0.227
2	C	-0.540
3	C	-0.540
4	C	-0.540
5	H	0.179
6	H	0.179
7	H	0.179
8	H	0.218
9	H	0.218
10	H	0.218
11	H	0.218
12	H	0.218
13	H	0.218

	x	y	z
x	7.154	0.000	0.000
y	0.000	7.154	-0.000
z	0.000	-0.000	6.256

<r²>	91.046
(<r²>)^1/2	9.542

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)