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	hartrees
Energy at 0K	-174.382615
Energy at 298.15K	-174.393176
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2965	43.25
2	A₁	2948	2824	192.98
3	A₁	1477	1415	28.60
4	A₁	1457	1396	0.15
5	A₁	1192	1142	24.58
6	A₁	863	827	22.94
7	A₁	344	330	7.54
8	A₂	3143	3010	0.00
9	A₂	1460	1399	0.00
10	A₂	1055	1010	0.00
11	A₂	238	228	0.00
12	E	3146	3013	39.66
12	E	3146	3013	39.62
13	E	3093	2963	30.99
13	E	3093	2963	30.89
14	E	2936	2813	54.43
14	E	2936	2813	54.33
15	E	1486	1424	12.37
15	E	1486	1424	12.37
16	E	1457	1396	7.31
16	E	1457	1396	7.18
17	E	1414	1355	0.83
17	E	1414	1355	0.81
18	E	1316	1261	16.22
18	E	1316	1261	16.20
19	E	1107	1061	11.77
19	E	1107	1061	11.80
20	E	1071	1026	11.85
20	E	1071	1026	11.85
21	E	415	398	0.00
21	E	415	398	0.00
22	E	265	254	0.52
22	E	265	254	0.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.376
C2	0.000	1.378	-0.061
C3	1.193	-0.689	-0.061
C4	-1.193	-0.689	-0.061
H5	0.000	1.477	-1.165
H6	1.280	-0.739	-1.165
H7	-1.280	-0.739	-1.165
H8	-0.887	1.891	0.326
H9	0.887	1.891	0.326
H10	2.081	-0.177	0.326
H11	1.194	-1.714	0.326
H12	-1.194	-1.714	0.326
H13	-2.081	-0.177	0.326

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.4453	1.4453	1.4453	2.1350	2.1350	2.1350	2.0890	2.0890	2.0890	2.0890	2.0890	2.0890
C2	1.4453		2.3865	2.3865	1.1093	2.7088	2.7088	1.0954	1.0954	2.6263	3.3365	3.3365	2.6263
C3	1.4453	2.3865		2.3865	2.7088	1.1093	2.7088	3.3365	2.6263	1.0954	1.0954	2.6263	3.3365
C4	1.4453	2.3865	2.3865		2.7088	2.7088	1.1093	2.6263	3.3365	3.3365	2.6263	1.0954	1.0954
H5	2.1350	1.1093	2.7088	2.7088		2.5590	2.5590	1.7843	1.7843	3.0485	3.7194	3.7194	3.0485
H6	2.1350	2.7088	1.1093	2.7088	2.5590		2.5590	3.7194	3.0485	1.7843	1.7843	3.0485	3.7194
H7	2.1350	2.7088	2.7088	1.1093	2.5590	2.5590		3.0485	3.7194	3.7194	3.0485	1.7843	1.7843
H8	2.0890	1.0954	3.3365	2.6263	1.7843	3.7194	3.0485		1.7743	3.6173	4.1619	3.6173	2.3876
H9	2.0890	1.0954	2.6263	3.3365	1.7843	3.0485	3.7194	1.7743		2.3876	3.6173	4.1619	3.6173
H10	2.0890	2.6263	1.0954	3.3365	3.0485	1.7843	3.7194	3.6173	2.3876		1.7743	3.6173	4.1619
H11	2.0890	3.3365	1.0954	2.6263	3.7194	1.7843	3.0485	4.1619	3.6173	1.7743		2.3876	3.6173
H12	2.0890	3.3365	2.6263	1.0954	3.7194	3.0485	1.7843	3.6173	4.1619	3.6173	2.3876		1.7743
H13	2.0890	2.6263	3.3365	1.0954	3.0485	3.7194	1.7843	2.3876	3.6173	4.1619	3.6173	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	112.728	N1	C2	H8	109.853
N1	C2	H9	109.853	N1	C3	H6	112.728
N1	C3	H10	109.853	N1	C3	H11	109.853
N1	C4	H7	112.728	N1	C4	H12	109.853
N1	C4	H13	109.853	C2	N1	C3	111.299
C2	N1	C4	111.299	C3	N1	C4	111.299
H5	C2	H8	108.055	H5	C2	H9	108.055
H6	C3	H10	108.055	H6	C3	H11	108.055
H7	C4	H12	108.055	H7	C4	H13	108.055
H8	C2	H9	108.170	H10	C3	H11	108.170
H12	C4	H13	108.170

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

using model chemistry: B1B95/aug-cc-pVDZ

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	-0.667
2	C	0.862
3	C	0.862
4	C	0.862
5	H	-0.105
6	H	-0.105
7	H	-0.105
8	H	-0.267
9	H	-0.267
10	H	-0.267
11	H	-0.267
12	H	-0.267
13	H	-0.267

<r²>	89.946
(<r²>)^1/2	9.484

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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