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	hartrees
Energy at 0K	-174.544581
Energy at 298.15K	-174.555174
HF Energy	-174.544581
Nuclear repulsion energy	138.581467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	2954	32.80
2	A₁	2908	2813	213.62
3	A₁	1500	1452	24.30
4	A₁	1481	1433	0.03
5	A₁	1206	1166	24.11
6	A₁	829	802	23.04
7	A₁	352	341	9.05
8	A₂	3090	2989	0.00
9	A₂	1489	1441	0.00
10	A₂	1069	1034	0.00
11	A₂	251	243	0.00
12	E	3094	2993	42.34
12	E	3094	2993	42.34
13	E	3050	2951	33.85
13	E	3050	2951	33.85
14	E	2894	2799	51.32
14	E	2894	2799	51.32
15	E	1511	1461	8.99
15	E	1511	1461	8.99
16	E	1483	1435	7.79
16	E	1483	1435	7.79
17	E	1441	1394	0.77
17	E	1441	1394	0.77
18	E	1303	1260	13.27
18	E	1303	1260	13.27
19	E	1119	1083	7.35
19	E	1119	1083	7.35
20	E	1055	1021	23.04
20	E	1055	1021	23.04
21	E	421	408	0.00
21	E	421	408	0.00
22	E	264	256	0.56
22	E	264	256	0.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.361
C2	0.000	1.390	-0.059
C3	1.204	-0.695	-0.059
C4	-1.204	-0.695	-0.059
H5	0.000	1.506	-1.157
H6	1.305	-0.753	-1.157
H7	-1.305	-0.753	-1.157
H8	-0.882	1.897	0.333
H9	0.882	1.897	0.333
H10	2.084	-0.184	0.333
H11	1.202	-1.713	0.333
H12	-1.202	-1.713	0.333
H13	-2.084	-0.184	0.333

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.4520	1.4520	1.4520	2.1385	2.1385	2.1385	2.0923	2.0923	2.0923	2.0923	2.0923	2.0923
C2	1.4520		2.4076	2.4076	1.1042	2.7388	2.7388	1.0905	1.0905	2.6411	3.3502	3.3502	2.6411
C3	1.4520	2.4076		2.4076	2.7388	1.1042	2.7388	3.3502	2.6411	1.0905	1.0905	2.6411	3.3502
C4	1.4520	2.4076	2.4076		2.7388	2.7388	1.1042	2.6411	3.3502	3.3502	2.6411	1.0905	1.0905
H5	2.1385	1.1042	2.7388	2.7388		2.6091	2.6091	1.7752	1.7752	3.0696	3.7451	3.7451	3.0696
H6	2.1385	2.7388	1.1042	2.7388	2.6091		2.6091	3.7451	3.0696	1.7752	1.7752	3.0696	3.7451
H7	2.1385	2.7388	2.7388	1.1042	2.6091	2.6091		3.0696	3.7451	3.7451	3.0696	1.7752	1.7752
H8	2.0923	1.0905	3.3502	2.6411	1.7752	3.7451	3.0696		1.7645	3.6236	4.1679	3.6236	2.4034
H9	2.0923	1.0905	2.6411	3.3502	1.7752	3.0696	3.7451	1.7645		2.4034	3.6236	4.1679	3.6236
H10	2.0923	2.6411	1.0905	3.3502	3.0696	1.7752	3.7451	3.6236	2.4034		1.7645	3.6236	4.1679
H11	2.0923	3.3502	1.0905	2.6411	3.7451	1.7752	3.0696	4.1679	3.6236	1.7645		2.4034	3.6236
H12	2.0923	3.3502	2.6411	1.0905	3.7451	3.0696	1.7752	3.6236	4.1679	3.6236	2.4034		1.7645
H13	2.0923	2.6411	3.3502	1.0905	3.0696	3.7451	1.7752	2.4034	3.6236	4.1679	3.6236	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	112.858	N1	C2	H8	109.943
N1	C2	H9	109.943	N1	C3	H6	112.858
N1	C3	H10	109.943	N1	C3	H11	109.943
N1	C4	H7	112.858	N1	C4	H12	109.943
N1	C4	H13	109.943	C2	N1	C3	111.999
C2	N1	C4	111.999	C3	N1	C4	111.999
H5	C2	H8	107.972	H5	C2	H9	107.972
H6	C3	H10	107.972	H6	C3	H11	107.972
H7	C4	H12	107.972	H7	C4	H13	107.972
H8	C2	H9	108.009	H10	C3	H11	108.009
H12	C4	H13	108.009

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

using model chemistry: B3LYPultrafine/aug-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
1	N	0.169
2	C	-0.738
3	C	-0.738
4	C	-0.738
5	H	0.218
6	H	0.218
7	H	0.218
8	H	0.232
9	H	0.232
10	H	0.232
11	H	0.232
12	H	0.232
13	H	0.232

<r²>	90.813
(<r²>)^1/2	9.530

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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