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	hartrees
Energy at 0K	-174.223707
Energy at 298.15K	-174.234256
Nuclear repulsion energy	137.906880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3006	2964	41.88
2	A₁	2857	2816	191.54
3	A₁	1483	1462	21.38
4	A₁	1458	1437	0.73
5	A₁	1180	1164	12.39
6	A₁	832	820	20.83
7	A₁	346	341	8.44
8	A₂	3052	3008	0.00
9	A₂	1468	1447	0.00
10	A₂	1047	1032	0.00
11	A₂	267	263	0.00
12	E	3055	3011	44.38
12	E	3055	3011	44.39
13	E	3004	2961	34.30
13	E	3004	2961	34.31
14	E	2839	2798	55.23
14	E	2839	2798	55.23
15	E	1493	1472	6.99
15	E	1493	1472	6.99
16	E	1458	1438	12.37
16	E	1458	1438	12.37
17	E	1415	1395	1.30
17	E	1415	1395	1.30
18	E	1282	1264	11.61
18	E	1282	1264	11.61
19	E	1099	1083	10.04
19	E	1099	1083	10.04
20	E	1051	1036	19.46
20	E	1051	1036	19.46
21	E	414	408	0.02
21	E	414	408	0.02
22	E	276	272	0.75
22	E	276	272	0.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.381
C2	0.000	1.388	-0.062
C3	1.202	-0.694	-0.062
C4	-1.202	-0.694	-0.062
H5	0.000	1.500	-1.176
H6	1.299	-0.750	-1.176
H7	-1.299	-0.750	-1.176
H8	-0.894	1.904	0.330
H9	0.894	1.904	0.330
H10	2.095	-0.178	0.330
H11	1.202	-1.726	0.330
H12	-1.202	-1.726	0.330
H13	-2.095	-0.178	0.330
X14	0.000	0.000	1.381

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4567	1.4567	1.4567	2.1614	2.1614	2.1614	2.1036	2.1036	2.1036	2.1036	2.1036	2.1036	1.0000
C2	1.4567		2.4036	2.4036	1.1191	2.7378	2.7378	1.1041	1.1041	2.6449	3.3604	3.3604	2.6449	2.0020
C3	1.4567	2.4036		2.4036	2.7378	1.1191	2.7378	3.3604	2.6449	1.1041	1.1041	2.6449	3.3604	2.0020
C4	1.4567	2.4036	2.4036		2.7378	2.7378	1.1191	2.6449	3.3604	3.3604	2.6449	1.1041	1.1041	2.0020
H5	2.1614	1.1191	2.7378	2.7378		2.5974	2.5974	1.7971	1.7971	3.0776	3.7570	3.7570	3.0776	2.9638
H6	2.1614	2.7378	1.1191	2.7378	2.5974		2.5974	3.7570	3.0776	1.7971	1.7971	3.0776	3.7570	2.9638
H7	2.1614	2.7378	2.7378	1.1191	2.5974	2.5974		3.0776	3.7570	3.7570	3.0776	1.7971	1.7971	2.9638
H8	2.1036	1.1041	3.3604	2.6449	1.7971	3.7570	3.0776		1.7877	3.6425	4.1909	3.6425	2.4032	2.3508
H9	2.1036	1.1041	2.6449	3.3604	1.7971	3.0776	3.7570	1.7877		2.4032	3.6425	4.1909	3.6425	2.3508
H10	2.1036	2.6449	1.1041	3.3604	3.0776	1.7971	3.7570	3.6425	2.4032		1.7877	3.6425	4.1909	2.3508
H11	2.1036	3.3604	1.1041	2.6449	3.7570	1.7971	3.0776	4.1909	3.6425	1.7877		2.4032	3.6425	2.3508
H12	2.1036	3.3604	2.6449	1.1041	3.7570	3.0776	1.7971	3.6425	4.1909	3.6425	2.4032		1.7877	2.3508
H13	2.1036	2.6449	3.3604	1.1041	3.0776	3.7570	1.7971	2.4032	3.6425	4.1909	3.6425	1.7877		2.3508
X14	1.0000	2.0020	2.0020	2.0020	2.9638	2.9638	2.9638	2.3508	2.3508	2.3508	2.3508	2.3508	2.3508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.442	N1	C2	H8	109.698
N1	C2	H9	109.698	N1	C3	H6	113.442
N1	C3	H10	109.698	N1	C3	H11	109.698
N1	C4	H7	113.442	N1	C4	H12	109.698
N1	C4	H13	109.698	C2	N1	C3	111.180
C2	N1	C4	111.180	C2	N1	X14	107.703
C3	N1	C4	111.180	C3	N1	X14	107.703
C4	N1	X14	107.703	H5	C2	H8	107.867
H5	C2	H9	107.867	H6	C3	H10	107.867
H6	C3	H11	107.867	H7	C4	H12	107.867
H7	C4	H13	107.867	H8	C2	H9	108.114
H10	C3	H11	108.114	H12	C4	H13	108.114

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

using model chemistry: PBEPBE/6-31G*

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	-0.314
2	C	-0.342
3	C	-0.342
4	C	-0.342
5	H	0.126
6	H	0.126
7	H	0.126
8	H	0.161
9	H	0.161
10	H	0.161
11	H	0.161
12	H	0.161
13	H	0.161

<r²>	90.805
(<r²>)^1/2	9.529

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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