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	hartrees
Energy at 0K	-174.513352
Energy at 298.15K	-174.523981
Nuclear repulsion energy	138.397425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	2958	50.53
2	A₁	2915	2817	234.55
3	A₁	1521	1470	28.41
4	A₁	1500	1450	0.10
5	A₁	1214	1173	19.91
6	A₁	837	808	24.00
7	A₁	361	349	9.25
8	A₂	3095	2991	0.00
9	A₂	1505	1455	0.00
10	A₂	1081	1044	0.00
11	A₂	255	247	0.00
12	E	3100	2996	59.01
12	E	3100	2996	59.00
13	E	3055	2952	39.38
13	E	3055	2952	39.37
14	E	2897	2799	52.82
14	E	2897	2799	52.83
15	E	1529	1478	9.91
15	E	1529	1478	9.91
16	E	1499	1449	10.23
16	E	1499	1449	10.23
17	E	1458	1409	0.46
17	E	1458	1409	0.47
18	E	1314	1269	11.84
18	E	1314	1269	11.84
19	E	1130	1092	7.97
19	E	1130	1092	7.97
20	E	1063	1027	23.60
20	E	1063	1027	23.60
21	E	426	411	0.00
21	E	426	411	0.00
22	E	272	263	0.85
22	E	272	263	0.85

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.371
C2	0.000	1.388	-0.061
C3	1.202	-0.694	-0.061
C4	-1.202	-0.694	-0.061
H5	0.000	1.502	-1.162
H6	1.301	-0.751	-1.162
H7	-1.301	-0.751	-1.162
H8	-0.883	1.900	0.330
H9	0.883	1.900	0.330
H10	2.087	-0.185	0.330
H11	1.203	-1.715	0.330
H12	-1.203	-1.715	0.330
H13	-2.087	-0.185	0.330
X14	0.000	0.000	1.371

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4538	1.4538	1.4538	2.1462	2.1462	2.1462	2.0954	2.0954	2.0954	2.0954	2.0954	2.0954	1.0000
C2	1.4538		2.4046	2.4046	1.1073	2.7353	2.7353	1.0929	1.0929	2.6423	3.3512	3.3512	2.6423	1.9942
C3	1.4538	2.4046		2.4046	2.7353	1.1073	2.7353	3.3512	2.6423	1.0929	1.0929	2.6423	3.3512	1.9942
C4	1.4538	2.4046	2.4046		2.7353	2.7353	1.1073	2.6423	3.3512	3.3512	2.6423	1.0929	1.0929	1.9942
H5	2.1462	1.1073	2.7353	2.7353		2.6015	2.6015	1.7790	1.7790	3.0702	3.7447	3.7447	3.0702	2.9449
H6	2.1462	2.7353	1.1073	2.7353	2.6015		2.6015	3.7447	3.0702	1.7790	1.7790	3.0702	3.7447	2.9449
H7	2.1462	2.7353	2.7353	1.1073	2.6015	2.6015		3.0702	3.7447	3.7447	3.0702	1.7790	1.7790	2.9449
H8	2.0954	1.0929	3.3512	2.6423	1.7790	3.7447	3.0702		1.7668	3.6286	4.1737	3.6286	2.4068	2.3394
H9	2.0954	1.0929	2.6423	3.3512	1.7790	3.0702	3.7447	1.7668		2.4068	3.6286	4.1737	3.6286	2.3394
H10	2.0954	2.6423	1.0929	3.3512	3.0702	1.7790	3.7447	3.6286	2.4068		1.7668	3.6286	4.1737	2.3394
H11	2.0954	3.3512	1.0929	2.6423	3.7447	1.7790	3.0702	4.1737	3.6286	1.7668		2.4068	3.6286	2.3394
H12	2.0954	3.3512	2.6423	1.0929	3.7447	3.0702	1.7790	3.6286	4.1737	3.6286	2.4068		1.7668	2.3394
H13	2.0954	2.6423	3.3512	1.0929	3.0702	3.7447	1.7790	2.4068	3.6286	4.1737	3.6286	1.7668		2.3394
X14	1.0000	1.9942	1.9942	1.9942	2.9449	2.9449	2.9449	2.3394	2.3394	2.3394	2.3394	2.3394	2.3394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.163	N1	C2	H8	109.918
N1	C2	H9	109.918	N1	C3	H6	113.163
N1	C3	H10	109.918	N1	C3	H11	109.918
N1	C4	H7	113.163	N1	C4	H12	109.918
N1	C4	H13	109.918	C2	N1	C3	111.580
C2	N1	C4	111.580	C2	N1	X14	107.270
C3	N1	C4	111.580	C3	N1	X14	107.270
C4	N1	X14	107.270	H5	C2	H8	107.908
H5	C2	H9	107.908	H6	C3	H10	107.908
H6	C3	H11	107.908	H7	C4	H12	107.908
H7	C4	H13	107.908	H8	C2	H9	107.859
H10	C3	H11	107.859	H12	C4	H13	107.859

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	N	-0.255	-0.188
2	C	-0.507	-0.331
3	C	-0.507	-0.253
4	C	-0.507	-0.299
5	H	0.173	0.110
6	H	0.173	0.094
7	H	0.173	0.101
8	H	0.210	0.135
9	H	0.210	0.140
10	H	0.210	0.117
11	H	0.210	0.114
12	H	0.210	0.129
13	H	0.210	0.131

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP	0.010	0.012	-0.569	0.569

<r²>	90.850
(<r²>)^1/2	9.532

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

using model chemistry: B3LYP/6-311G*

States and conformations

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