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	hartrees
Energy at 0K	-174.442433
Energy at 298.15K	-174.452841
Nuclear repulsion energy	136.732798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2962	76.99
2	A₁	2931	2817	252.03
3	A₁	1523	1464	30.25
4	A₁	1496	1438	2.04
5	A₁	1196	1150	4.70
6	A₁	804	773	19.50
7	A₁	317	304	17.82
8	A₂	3127	3006	0.00
9	A₂	1511	1453	0.00
10	A₂	1065	1024	0.00
11	A₂	233	224	0.00
12	E	3135	3014	65.23
12	E	3135	3014	65.25
13	E	3076	2957	40.19
13	E	3076	2957	40.17
14	E	2911	2799	73.11
14	E	2911	2799	73.12
15	E	1529	1470	12.46
15	E	1529	1470	12.46
16	E	1503	1445	14.38
16	E	1503	1445	14.38
17	E	1463	1406	1.03
17	E	1463	1406	1.03
18	E	1311	1260	6.03
18	E	1311	1260	6.03
19	E	1123	1079	9.90
19	E	1123	1079	9.90
20	E	1062	1021	26.61
20	E	1062	1021	26.61
21	E	413	397	0.37
21	E	413	397	0.37
22	E	240	231	0.54
22	E	240	231	0.54

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.343
C2	0.000	1.416	-0.057
C3	1.226	-0.708	-0.057
C4	-1.226	-0.708	-0.057
H5	0.000	1.561	-1.160
H6	1.351	-0.780	-1.160
H7	-1.351	-0.780	-1.160
H8	-0.887	1.916	0.350
H9	0.887	1.916	0.350
H10	2.103	-0.190	0.350
H11	1.216	-1.727	0.350
H12	-1.216	-1.727	0.350
H13	-2.103	-0.190	0.350
X14	0.000	0.000	1.343

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4713	1.4713	1.4713	2.1664	2.1664	2.1664	2.1118	2.1118	2.1118	2.1118	2.1118	2.1118	1.0000
C2	1.4713		2.4524	2.4524	1.1121	2.8045	2.8045	1.0970	1.0970	2.6771	3.3940	3.3940	2.6771	1.9912
C3	1.4713	2.4524		2.4524	2.8045	1.1121	2.8045	3.3940	2.6771	1.0970	1.0970	2.6771	3.3940	1.9912
C4	1.4713	2.4524	2.4524		2.8045	2.8045	1.1121	2.6771	3.3940	3.3940	2.6771	1.0970	1.0970	1.9912
H5	2.1664	1.1121	2.8045	2.8045		2.7029	2.7029	1.7869	1.7869	3.1250	3.8161	3.8161	3.1250	2.9494
H6	2.1664	2.8045	1.1121	2.8045	2.7029		2.7029	3.8161	3.1250	1.7869	1.7869	3.1250	3.8161	2.9494
H7	2.1664	2.8045	2.8045	1.1121	2.7029	2.7029		3.1250	3.8161	3.8161	3.1250	1.7869	1.7869	2.9494
H8	2.1118	1.0970	3.3940	2.6771	1.7869	3.8161	3.1250		1.7749	3.6577	4.2065	3.6577	2.4316	2.3336
H9	2.1118	1.0970	2.6771	3.3940	1.7869	3.1250	3.8161	1.7749		2.4316	3.6577	4.2065	3.6577	2.3336
H10	2.1118	2.6771	1.0970	3.3940	3.1250	1.7869	3.8161	3.6577	2.4316		1.7749	3.6577	4.2065	2.3336
H11	2.1118	3.3940	1.0970	2.6771	3.8161	1.7869	3.1250	4.2065	3.6577	1.7749		2.4316	3.6577	2.3336
H12	2.1118	3.3940	2.6771	1.0970	3.8161	3.1250	1.7869	3.6577	4.2065	3.6577	2.4316		1.7749	2.3336
H13	2.1118	2.6771	3.3940	1.0970	3.1250	3.8161	1.7869	2.4316	3.6577	4.2065	3.6577	1.7749		2.3336
X14	1.0000	1.9912	1.9912	1.9912	2.9494	2.9494	2.9494	2.3336	2.3336	2.3336	2.3336	2.3336	2.3336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.249	N1	C2	H8	109.759
N1	C2	H9	109.759	N1	C3	H6	113.249
N1	C3	H10	109.759	N1	C3	H11	109.759
N1	C4	H7	113.249	N1	C4	H12	109.759
N1	C4	H13	109.759	C2	N1	C3	112.900
C2	N1	C4	112.900	C2	N1	X14	105.776
C3	N1	C4	112.900	C3	N1	X14	105.776
C4	N1	X14	105.776	H5	C2	H8	107.968
H5	C2	H9	107.968	H6	C3	H10	107.968
H6	C3	H11	107.968	H7	C4	H12	107.968
H7	C4	H13	107.968	H8	C2	H9	107.984
H10	C3	H11	107.984	H12	C4	H13	107.984

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

using model chemistry: B3LYP/SDD

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	-0.111
2	C	-0.546
3	C	-0.546
4	C	-0.546
5	H	0.170
6	H	0.170
7	H	0.170
8	H	0.207
9	H	0.207
10	H	0.207
11	H	0.207
12	H	0.207
13	H	0.207

<r²>	92.585
(<r²>)^1/2	9.622

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

using model chemistry: B3LYP/SDD

States and conformations

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