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	hartrees
Energy at 0K	-174.434555
Energy at 298.15K	-174.445154
Nuclear repulsion energy	138.760891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2963	49.00
2	A₁	2947	2824	172.64
3	A₁	1481	1419	22.16
4	A₁	1463	1402	4.61
5	A₁	1199	1149	18.86
6	A₁	867	831	22.40
7	A₁	349	334	7.87
8	A₂	3140	3009	0.00
9	A₂	1465	1404	0.00
10	A₂	1060	1016	0.00
11	A₂	252	241	0.00
12	E	3143	3012	38.18
12	E	3143	3012	38.18
13	E	3090	2961	30.74
13	E	3090	2961	30.73
14	E	2932	2810	53.97
14	E	2932	2810	53.98
15	E	1492	1430	11.05
15	E	1492	1430	11.06
16	E	1455	1395	10.56
16	E	1455	1395	10.56
17	E	1423	1364	2.61
17	E	1423	1364	2.61
18	E	1324	1269	14.37
18	E	1324	1269	14.37
19	E	1113	1067	12.41
19	E	1113	1067	12.41
20	E	1079	1034	12.81
20	E	1079	1034	12.81
21	E	417	400	0.02
21	E	417	400	0.02
22	E	270	259	0.69
22	E	270	259	0.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.372
C2	0.000	1.379	-0.060
C3	1.194	-0.689	-0.060
C4	-1.194	-0.689	-0.060
H5	0.000	1.493	-1.168
H6	1.293	-0.746	-1.168
H7	-1.293	-0.746	-1.168
H8	-0.889	1.895	0.331
H9	0.889	1.895	0.331
H10	2.086	-0.177	0.331
H11	1.196	-1.717	0.331
H12	-1.196	-1.717	0.331
H13	-2.086	-0.177	0.331
X14	0.000	0.000	1.372

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4451	1.4451	1.4451	2.1452	2.1452	2.1452	2.0935	2.0935	2.0935	2.0935	2.0935	2.0935	1.0000
C2	1.4451		2.3883	2.3883	1.1139	2.7233	2.7233	1.0997	1.0997	2.6314	3.3423	3.3423	2.6314	1.9883
C3	1.4451	2.3883		2.3883	2.7233	1.1139	2.7233	3.3423	2.6314	1.0997	1.0997	2.6314	3.3423	1.9883
C4	1.4451	2.3883	2.3883		2.7233	2.7233	1.1139	2.6314	3.3423	3.3423	2.6314	1.0997	1.0997	1.9883
H5	2.1452	1.1139	2.7233	2.7233		2.5857	2.5857	1.7885	1.7885	3.0637	3.7395	3.7395	3.0637	2.9466
H6	2.1452	2.7233	1.1139	2.7233	2.5857		2.5857	3.7395	3.0637	1.7885	1.7885	3.0637	3.7395	2.9466
H7	2.1452	2.7233	2.7233	1.1139	2.5857	2.5857		3.0637	3.7395	3.7395	3.0637	1.7885	1.7885	2.9466
H8	2.0935	1.0997	3.3423	2.6314	1.7885	3.7395	3.0637		1.7782	3.6253	4.1710	3.6253	2.3928	2.3379
H9	2.0935	1.0997	2.6314	3.3423	1.7885	3.0637	3.7395	1.7782		2.3928	3.6253	4.1710	3.6253	2.3379
H10	2.0935	2.6314	1.0997	3.3423	3.0637	1.7885	3.7395	3.6253	2.3928		1.7782	3.6253	4.1710	2.3379
H11	2.0935	3.3423	1.0997	2.6314	3.7395	1.7885	3.0637	4.1710	3.6253	1.7782		2.3928	3.6253	2.3379
H12	2.0935	3.3423	2.6314	1.0997	3.7395	3.0637	1.7885	3.6253	4.1710	3.6253	2.3928		1.7782	2.3379
H13	2.0935	2.6314	3.3423	1.0997	3.0637	3.7395	1.7885	2.3928	3.6253	4.1710	3.6253	1.7782		2.3379
X14	1.0000	1.9883	1.9883	1.9883	2.9466	2.9466	2.9466	2.3379	2.3379	2.3379	2.3379	2.3379	2.3379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.284	N1	C2	H8	109.954
N1	C2	H9	109.954	N1	C3	H6	113.284
N1	C3	H10	109.954	N1	C3	H11	109.954
N1	C4	H7	113.284	N1	C4	H12	109.954
N1	C4	H13	109.954	C2	N1	C3	111.450
C2	N1	C4	111.450	C2	N1	X14	107.412
C3	N1	C4	111.450	C3	N1	X14	107.412
C4	N1	X14	107.412	H5	C2	H8	107.792
H5	C2	H9	107.792	H6	C3	H10	107.792
H6	C3	H11	107.792	H7	C4	H12	107.792
H7	C4	H13	107.792	H8	C2	H9	107.891
H10	C3	H11	107.891	H12	C4	H13	107.891

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

using model chemistry: mPW1PW91/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	-0.323
2	C	0.016
3	C	0.016
4	C	0.016
5	H	0.012
6	H	0.012
7	H	0.012
8	H	0.040
9	H	0.040
10	H	0.040
11	H	0.040
12	H	0.040
13	H	0.040

<r²>	89.940
(<r²>)^1/2	9.484

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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