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	hartrees
Energy at 0K	-174.476588
Energy at 298.15K	-174.487181
Nuclear repulsion energy	138.092666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3058	2966	46.89
2	A₁	2911	2824	192.60
3	A₁	1475	1431	17.44
4	A₁	1459	1416	4.93
5	A₁	1194	1158	19.50
6	A₁	842	817	21.92
7	A₁	356	345	7.99
8	A₂	3099	3006	0.00
9	A₂	1459	1415	0.00
10	A₂	1058	1026	0.00
11	A₂	252	244	0.00
12	E	3103	3010	45.59
12	E	3103	3010	45.60
13	E	3053	2962	33.69
13	E	3053	2962	33.70
14	E	2893	2807	51.77
14	E	2893	2807	51.77
15	E	1484	1440	7.99
15	E	1484	1440	7.99
16	E	1449	1406	9.95
16	E	1449	1406	9.96
17	E	1421	1378	4.00
17	E	1421	1378	4.00
18	E	1304	1265	13.65
18	E	1304	1265	13.65
19	E	1107	1074	9.70
19	E	1107	1074	9.69
20	E	1062	1030	17.93
20	E	1062	1030	17.93
21	E	419	407	0.01
21	E	419	407	0.01
22	E	271	263	0.69
22	E	271	263	0.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.374
C2	0.000	1.387	-0.060
C3	1.202	-0.694	-0.060
C4	-1.202	-0.694	-0.060
H5	0.000	1.501	-1.171
H6	1.300	-0.751	-1.171
H7	-1.300	-0.751	-1.171
H8	-0.891	1.903	0.331
H9	0.891	1.903	0.331
H10	2.094	-0.180	0.331
H11	1.203	-1.724	0.331
H12	-1.203	-1.724	0.331
H13	-2.094	-0.180	0.331
X14	0.000	0.000	1.374

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4538	1.4538	1.4538	2.1543	2.1543	2.1543	2.1022	2.1022	2.1022	2.1022	2.1022	2.1022	1.0000
C2	1.4538		2.4031	2.4031	1.1164	2.7378	2.7378	1.1018	1.1018	2.6447	3.3584	3.3584	2.6447	1.9955
C3	1.4538	2.4031		2.4031	2.7378	1.1164	2.7378	3.3584	2.6447	1.1018	1.1018	2.6447	3.3584	1.9955
C4	1.4538	2.4031	2.4031		2.7378	2.7378	1.1164	2.6447	3.3584	3.3584	2.6447	1.1018	1.1018	1.9955
H5	2.1543	1.1164	2.7378	2.7378		2.6005	2.6005	1.7923	1.7923	3.0769	3.7555	3.7555	3.0769	2.9548
H6	2.1543	2.7378	1.1164	2.7378	2.6005		2.6005	3.7555	3.0769	1.7923	1.7923	3.0769	3.7555	2.9548
H7	2.1543	2.7378	2.7378	1.1164	2.6005	2.6005		3.0769	3.7555	3.7555	3.0769	1.7923	1.7923	2.9548
H8	2.1022	1.1018	3.3584	2.6447	1.7923	3.7555	3.0769		1.7828	3.6404	4.1882	3.6404	2.4054	2.3463
H9	2.1022	1.1018	2.6447	3.3584	1.7923	3.0769	3.7555	1.7828		2.4054	3.6404	4.1882	3.6404	2.3463
H10	2.1022	2.6447	1.1018	3.3584	3.0769	1.7923	3.7555	3.6404	2.4054		1.7828	3.6404	4.1882	2.3463
H11	2.1022	3.3584	1.1018	2.6447	3.7555	1.7923	3.0769	4.1882	3.6404	1.7828		2.4054	3.6404	2.3463
H12	2.1022	3.3584	2.6447	1.1018	3.7555	3.0769	1.7923	3.6404	4.1882	3.6404	2.4054		1.7828	2.3463
H13	2.1022	2.6447	3.3584	1.1018	3.0769	3.7555	1.7923	2.4054	3.6404	4.1882	3.6404	1.7828		2.3463
X14	1.0000	1.9955	1.9955	1.9955	2.9548	2.9548	2.9548	2.3463	2.3463	2.3463	2.3463	2.3463	2.3463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.240	N1	C2	H8	109.924
N1	C2	H9	109.924	N1	C3	H6	113.240
N1	C3	H10	109.924	N1	C3	H11	109.924
N1	C4	H7	113.240	N1	C4	H12	109.924
N1	C4	H13	109.924	C2	N1	C3	111.478
C2	N1	C4	111.478	C2	N1	X14	107.381
C3	N1	C4	111.478	C3	N1	X14	107.381
C4	N1	X14	107.381	H5	C2	H8	107.795
H5	C2	H9	107.795	H6	C3	H10	107.795
H6	C3	H11	107.795	H7	C4	H12	107.795
H7	C4	H13	107.795	H8	C2	H9	107.997
H10	C3	H11	107.997	H12	C4	H13	107.997

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

using model chemistry: B3LYP/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	-0.277
2	C	0.072
3	C	0.072
4	C	0.072
5	H	-0.011
6	H	-0.011
7	H	-0.011
8	H	0.016
9	H	0.016
10	H	0.016
11	H	0.016
12	H	0.016
13	H	0.016

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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