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	hartrees
Energy at 0K	-174.542137
Energy at 298.15K	-174.552730
Nuclear repulsion energy	138.585014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	2952	38.86
2	A₁	2910	2813	206.13
3	A₁	1502	1452	23.84
4	A₁	1483	1434	0.11
5	A₁	1207	1167	22.03
6	A₁	829	801	21.50
7	A₁	355	343	8.83
8	A₂	3089	2986	0.00
9	A₂	1491	1441	0.00
10	A₂	1070	1035	0.00
11	A₂	250	241	0.00
12	E	3093	2990	46.19
12	E	3093	2990	46.18
13	E	3049	2947	34.43
13	E	3049	2947	34.42
14	E	2895	2799	48.65
14	E	2895	2799	48.65
15	E	1512	1462	8.20
15	E	1512	1462	8.20
16	E	1482	1433	8.62
16	E	1482	1433	8.61
17	E	1442	1394	1.03
17	E	1442	1394	1.04
18	E	1305	1262	12.79
18	E	1305	1262	12.79
19	E	1120	1082	8.24
19	E	1120	1082	8.24
20	E	1056	1021	22.54
20	E	1056	1021	22.54
21	E	419	405	0.00
21	E	419	405	0.00
22	E	266	257	0.66
22	E	266	257	0.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.367
C2	0.000	1.388	-0.060
C3	1.202	-0.694	-0.060
C4	-1.202	-0.694	-0.060
H5	0.000	1.501	-1.159
H6	1.300	-0.751	-1.159
H7	-1.300	-0.751	-1.159
H8	-0.883	1.896	0.330
H9	0.883	1.896	0.330
H10	2.083	-0.183	0.330
H11	1.200	-1.712	0.330
H12	-1.200	-1.712	0.330
H13	-2.083	-0.183	0.330
X14	0.000	0.000	1.367

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4520	1.4520	1.4520	2.1403	2.1403	2.1403	2.0916	2.0916	2.0916	2.0916	2.0916	2.0916	1.0000
C2	1.4520		2.4040	2.4040	1.1047	2.7335	2.7335	1.0906	1.0906	2.6384	3.3474	3.3474	2.6384	1.9903
C3	1.4520	2.4040		2.4040	2.7335	1.1047	2.7335	3.3474	2.6384	1.0906	1.0906	2.6384	3.3474	1.9903
C4	1.4520	2.4040	2.4040		2.7335	2.7335	1.1047	2.6384	3.3474	3.3474	2.6384	1.0906	1.0906	1.9903
H5	2.1403	1.1047	2.7335	2.7335		2.6005	2.6005	1.7753	1.7753	3.0652	3.7398	3.7398	3.0652	2.9380
H6	2.1403	2.7335	1.1047	2.7335	2.6005		2.6005	3.7398	3.0652	1.7753	1.7753	3.0652	3.7398	2.9380
H7	2.1403	2.7335	2.7335	1.1047	2.6005	2.6005		3.0652	3.7398	3.7398	3.0652	1.7753	1.7753	2.9380
H8	2.0916	1.0906	3.3474	2.6384	1.7753	3.7398	3.0652		1.7655	3.6221	4.1664	3.6221	2.4008	2.3340
H9	2.0916	1.0906	2.6384	3.3474	1.7753	3.0652	3.7398	1.7655		2.4008	3.6221	4.1664	3.6221	2.3340
H10	2.0916	2.6384	1.0906	3.3474	3.0652	1.7753	3.7398	3.6221	2.4008		1.7655	3.6221	4.1664	2.3340
H11	2.0916	3.3474	1.0906	2.6384	3.7398	1.7753	3.0652	4.1664	3.6221	1.7655		2.4008	3.6221	2.3340
H12	2.0916	3.3474	2.6384	1.0906	3.7398	3.0652	1.7753	3.6221	4.1664	3.6221	2.4008		1.7655	2.3340
H13	2.0916	2.6384	3.3474	1.0906	3.0652	3.7398	1.7753	2.4008	3.6221	4.1664	3.6221	1.7655		2.3340
X14	1.0000	1.9903	1.9903	1.9903	2.9380	2.9380	2.9380	2.3340	2.3340	2.3340	2.3340	2.3340	2.3340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	112.976	N1	C2	H8	109.881
N1	C2	H9	109.881	N1	C3	H6	112.976
N1	C3	H10	109.881	N1	C3	H11	109.881
N1	C4	H7	112.976	N1	C4	H12	109.881
N1	C4	H13	109.881	C2	N1	C3	111.751
C2	N1	C4	111.751	C2	N1	X14	107.082
C3	N1	C4	111.751	C3	N1	X14	107.082
C4	N1	X14	107.082	H5	C2	H8	107.937
H5	C2	H9	107.937	H6	C3	H10	107.937
H6	C3	H11	107.937	H7	C4	H12	107.937
H7	C4	H13	107.937	H8	C2	H9	108.086
H10	C3	H11	108.086	H12	C4	H13	108.086

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

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	N	-0.145	-0.211
2	C	-0.179	-0.271
3	C	-0.179	-0.243
4	C	-0.179	-0.195
5	H	0.046	0.092
6	H	0.046	0.084
7	H	0.046	0.076
8	H	0.091	0.123
9	H	0.091	0.119
10	H	0.091	0.115
11	H	0.091	0.113
12	H	0.091	0.098
13	H	0.091	0.100

	x	y	z	Total
	0.000	0.000	-0.435	0.435
CHELPG
AIM
ESP	0.010	0.012	0.516	0.516

<r²>	90.691
(<r²>)^1/2	9.523

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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