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	hartrees
Energy at 0K	-173.476099
Energy at 298.15K	-173.486737
Nuclear repulsion energy	137.571293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2958	47.80
2	A₁	2962	2828	158.93
3	A₁	1572	1500	33.75
4	A₁	1523	1453	0.15
5	A₁	1222	1167	4.96
6	A₁	814	777	18.33
7	A₁	327	312	14.46
8	A₂	3141	2998	0.00
9	A₂	1562	1491	0.00
10	A₂	1083	1034	0.00
11	A₂	285	272	0.00
12	E	3146	3003	37.33
12	E	3146	3003	37.33
13	E	3095	2954	25.11
13	E	3095	2954	25.11
14	E	2949	2815	41.79
14	E	2949	2815	41.79
15	E	1583	1511	7.99
15	E	1583	1511	8.00
16	E	1549	1479	15.18
16	E	1549	1479	15.18
17	E	1484	1416	0.59
17	E	1484	1416	0.59
18	E	1314	1254	4.39
18	E	1314	1254	4.39
19	E	1147	1095	11.31
19	E	1147	1095	11.31
20	E	1067	1018	24.22
20	E	1067	1018	24.23
21	E	421	402	0.21
21	E	421	402	0.21
22	E	274	261	0.94
22	E	274	261	0.94

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.371
C2	0.000	1.401	-0.062
C3	1.214	-0.701	-0.062
C4	-1.214	-0.701	-0.062
H5	0.000	1.516	-1.164
H6	1.313	-0.758	-1.164
H7	-1.313	-0.758	-1.164
H8	-0.888	1.902	0.336
H9	0.888	1.902	0.336
H10	2.091	-0.182	0.336
H11	1.203	-1.720	0.336
H12	-1.203	-1.720	0.336
H13	-2.091	-0.182	0.336
X14	0.000	0.000	1.371

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4667	1.4667	1.4667	2.1569	2.1569	2.1569	2.0991	2.0991	2.0991	2.0991	2.0991	2.0991	1.0000
C2	1.4667		2.4270	2.4270	1.1071	2.7563	2.7563	1.0944	1.0944	2.6528	3.3685	3.3685	2.6528	2.0045
C3	1.4667	2.4270		2.4270	2.7563	1.1071	2.7563	3.3685	2.6528	1.0944	1.0944	2.6528	3.3685	2.0045
C4	1.4667	2.4270	2.4270		2.7563	2.7563	1.1071	2.6528	3.3685	3.3685	2.6528	1.0944	1.0944	2.0045
H5	2.1569	1.1071	2.7563	2.7563		2.6252	2.6252	1.7851	1.7851	3.0827	3.7636	3.7636	3.0827	2.9532
H6	2.1569	2.7563	1.1071	2.7563	2.6252		2.6252	3.7636	3.0827	1.7851	1.7851	3.0827	3.7636	2.9532
H7	2.1569	2.7563	2.7563	1.1071	2.6252	2.6252		3.0827	3.7636	3.7636	3.0827	1.7851	1.7851	2.9532
H8	2.0991	1.0944	3.3685	2.6528	1.7851	3.7636	3.0827		1.7757	3.6352	4.1818	3.6352	2.4061	2.3401
H9	2.0991	1.0944	2.6528	3.3685	1.7851	3.0827	3.7636	1.7757		2.4061	3.6352	4.1818	3.6352	2.3401
H10	2.0991	2.6528	1.0944	3.3685	3.0827	1.7851	3.7636	3.6352	2.4061		1.7757	3.6352	4.1818	2.3401
H11	2.0991	3.3685	1.0944	2.6528	3.7636	1.7851	3.0827	4.1818	3.6352	1.7757		2.4061	3.6352	2.3401
H12	2.0991	3.3685	2.6528	1.0944	3.7636	3.0827	1.7851	3.6352	4.1818	3.6352	2.4061		1.7757	2.3401
H13	2.0991	2.6528	3.3685	1.0944	3.0827	3.7636	1.7851	2.4061	3.6352	4.1818	3.6352	1.7757		2.3401
X14	1.0000	2.0045	2.0045	2.0045	2.9532	2.9532	2.9532	2.3401	2.3401	2.3401	2.3401	2.3401	2.3401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.120	N1	C2	H8	109.229
N1	C2	H9	109.229	N1	C3	H6	113.120
N1	C3	H10	109.229	N1	C3	H11	109.229
N1	C4	H7	113.120	N1	C4	H12	109.229
N1	C4	H13	109.229	C2	N1	C3	111.656
C2	N1	C4	111.656	C2	N1	X14	107.186
C3	N1	C4	111.656	C3	N1	X14	107.186
C4	N1	X14	107.186	H5	C2	H8	108.356
H5	C2	H9	108.356	H6	C3	H10	108.356
H6	C3	H11	108.356	H7	C4	H12	108.356
H7	C4	H13	108.356	H8	C2	H9	108.445
H10	C3	H11	108.445	H12	C4	H13	108.445

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

using model chemistry: mPW1PW91/3-21G

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	-0.518
2	C	-0.445
3	C	-0.445
4	C	-0.445
5	H	0.179
6	H	0.179
7	H	0.179
8	H	0.219
9	H	0.219
10	H	0.219
11	H	0.219
12	H	0.219
13	H	0.219

<r²>	91.191
(<r²>)^1/2	9.549

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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