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	hartrees
Energy at 0K	-173.274749
Energy at 298.15K	-173.285297
Nuclear repulsion energy	136.521645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3002	2974	43.46
2	A₁	2851	2825	178.02
3	A₁	1518	1504	31.88
4	A₁	1467	1453	0.02
5	A₁	1173	1162	3.81
6	A₁	780	773	17.78
7	A₁	324	321	12.27
8	A₂	3046	3018	0.00
9	A₂	1510	1497	0.00
10	A₂	1043	1034	0.00
11	A₂	289	286	0.00
12	E	3051	3023	38.28
12	E	3051	3023	38.28
13	E	2998	2971	27.58
13	E	2998	2971	27.58
14	E	2832	2806	49.26
14	E	2832	2806	49.26
15	E	1531	1517	6.56
15	E	1531	1517	6.57
16	E	1495	1481	17.04
16	E	1495	1481	17.04
17	E	1428	1415	0.17
17	E	1428	1415	0.17
18	E	1256	1245	3.05
18	E	1256	1245	3.05
19	E	1104	1094	11.03
19	E	1104	1094	11.03
20	E	1023	1013	23.34
20	E	1023	1013	23.33
21	E	407	404	0.14
21	E	407	404	0.14
22	E	275	272	0.97
22	E	275	272	0.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.390
C2	0.000	1.408	-0.065
C3	1.219	-0.704	-0.065
C4	-1.219	-0.704	-0.065
H5	0.000	1.513	-1.180
H6	1.310	-0.756	-1.180
H7	-1.310	-0.756	-1.180
H8	-0.897	1.916	0.331
H9	0.897	1.916	0.331
H10	2.107	-0.181	0.331
H11	1.210	-1.734	0.331
H12	-1.210	-1.734	0.331
H13	-2.107	-0.181	0.331
X14	0.000	0.000	1.390

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4798	1.4798	1.4798	2.1799	2.1799	2.1799	2.1159	2.1159	2.1159	2.1159	2.1159	2.1159	1.0000
C2	1.4798		2.4388	2.4388	1.1190	2.7646	2.7646	1.1042	1.1042	2.6689	3.3908	3.3908	2.6689	2.0250
C3	1.4798	2.4388		2.4388	2.7646	1.1190	2.7646	3.3908	2.6689	1.1042	1.1042	2.6689	3.3908	2.0250
C4	1.4798	2.4388	2.4388		2.7646	2.7646	1.1190	2.6689	3.3908	3.3908	2.6689	1.1042	1.1042	2.0250
H5	2.1799	1.1190	2.7646	2.7646		2.6205	2.6205	1.8024	1.8024	3.0972	3.7806	3.7806	3.0972	2.9817
H6	2.1799	2.7646	1.1190	2.7646	2.6205		2.6205	3.7806	3.0972	1.8024	1.8024	3.0972	3.7806	2.9818
H7	2.1799	2.7646	2.7646	1.1190	2.6205	2.6205		3.0972	3.7806	3.7806	3.0972	1.8024	1.8024	2.9818
H8	2.1159	1.1042	3.3908	2.6689	1.8024	3.7806	3.0972		1.7937	3.6634	4.2146	3.6634	2.4209	2.3652
H9	2.1159	1.1042	2.6689	3.3908	1.8024	3.0972	3.7806	1.7937		2.4209	3.6634	4.2146	3.6634	2.3652
H10	2.1159	2.6689	1.1042	3.3908	3.0972	1.8024	3.7806	3.6634	2.4209		1.7937	3.6634	4.2146	2.3652
H11	2.1159	3.3908	1.1042	2.6689	3.7806	1.8024	3.0972	4.2146	3.6634	1.7937		2.4209	3.6634	2.3652
H12	2.1159	3.3908	2.6689	1.1042	3.7806	3.0972	1.8024	3.6634	4.2146	3.6634	2.4209		1.7937	2.3652
H13	2.1159	2.6689	3.3908	1.1042	3.0972	3.7806	1.8024	2.4209	3.6634	4.2146	3.6634	1.7937		2.3652
X14	1.0000	2.0250	2.0250	2.0250	2.9817	2.9818	2.9818	2.3652	2.3652	2.3652	2.3652	2.3652	2.3652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.301	N1	C2	H8	109.073
N1	C2	H9	109.073	N1	C3	H6	113.301
N1	C3	H10	109.073	N1	C3	H11	109.073
N1	C4	H7	113.301	N1	C4	H12	109.073
N1	C4	H13	109.073	C2	N1	C3	110.976
C2	N1	C4	110.976	C2	N1	X14	107.920
C3	N1	C4	110.976	C3	N1	X14	107.920
C4	N1	X14	107.920	H5	C2	H8	108.333
H5	C2	H9	108.333	H6	C3	H10	108.333
H6	C3	H11	108.333	H7	C4	H12	108.333
H7	C4	H13	108.333	H8	C2	H9	108.631
H10	C3	H11	108.631	H12	C4	H13	108.631

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

using model chemistry: PBEPBE/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	-0.448
2	C	-0.437
3	C	-0.437
4	C	-0.437
5	H	0.169
6	H	0.169
7	H	0.169
8	H	0.209
9	H	0.209
10	H	0.209
11	H	0.209
12	H	0.209
13	H	0.209

<r²>	92.250
(<r²>)^1/2	9.605

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

using model chemistry: PBEPBE/3-21G

States and conformations

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