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	hartrees
Energy at 0K	-173.334058
Energy at 298.15K	-173.344890
Nuclear repulsion energy	139.457851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	2909	54.86
2	A₁	3075	2798	214.65
3	A₁	1625	1479	20.25
4	A₁	1614	1469	0.01
5	A₁	1320	1201	26.62
6	A₁	894	813	19.09
7	A₁	382	348	10.39
8	A₂	3221	2931	0.00
9	A₂	1611	1466	0.00
10	A₂	1160	1055	0.00
11	A₂	245	223	0.00
12	E	3229	2939	70.95
12	E	3229	2939	70.95
13	E	3186	2900	42.59
13	E	3186	2900	42.59
14	E	3060	2784	39.38
14	E	3060	2784	39.38
15	E	1632	1485	9.42
15	E	1632	1485	9.42
16	E	1605	1460	5.82
16	E	1605	1460	5.82
17	E	1567	1426	3.70
17	E	1567	1426	3.70
18	E	1431	1302	18.93
18	E	1431	1302	18.93
19	E	1213	1104	9.15
19	E	1213	1104	9.15
20	E	1142	1039	25.09
20	E	1142	1039	25.09
21	E	453	412	0.01
21	E	453	412	0.01
22	E	279	254	0.53
22	E	279	254	0.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.358
C2	0.000	1.381	-0.058
C3	1.196	-0.691	-0.058
C4	-1.196	-0.691	-0.058
H5	0.000	1.497	-1.147
H6	1.296	-0.748	-1.147
H7	-1.296	-0.748	-1.147
H8	-0.876	1.885	0.331
H9	0.876	1.885	0.331
H10	2.070	-0.184	0.331
H11	1.195	-1.701	0.331
H12	-1.195	-1.701	0.331
H13	-2.070	-0.184	0.331
X14	0.000	0.000	1.358

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4428	1.4428	1.4428	2.1227	2.1227	2.1227	2.0788	2.0788	2.0788	2.0788	2.0788	2.0788	1.0000
C2	1.4428		2.3924	2.3924	1.0944	2.7203	2.7203	1.0828	1.0828	2.6247	3.3285	3.3285	2.6247	1.9787
C3	1.4428	2.3924		2.3924	2.7203	1.0944	2.7203	3.3285	2.6247	1.0828	1.0828	2.6247	3.3285	1.9787
C4	1.4428	2.3924	2.3924		2.7203	2.7203	1.0944	2.6247	3.3285	3.3285	2.6247	1.0828	1.0828	1.9787
H5	2.1227	1.0944	2.7203	2.7203		2.5925	2.5925	1.7610	1.7610	3.0490	3.7198	3.7198	3.0490	2.9182
H6	2.1227	2.7203	1.0944	2.7203	2.5925		2.5925	3.7198	3.0490	1.7610	1.7610	3.0490	3.7198	2.9182
H7	2.1227	2.7203	2.7203	1.0944	2.5925	2.5925		3.0490	3.7198	3.7198	3.0490	1.7610	1.7610	2.9182
H8	2.0788	1.0828	3.3285	2.6247	1.7610	3.7198	3.0490		1.7514	3.6003	4.1410	3.6003	2.3896	2.3188
H9	2.0788	1.0828	2.6247	3.3285	1.7610	3.0490	3.7198	1.7514		2.3896	3.6003	4.1410	3.6003	2.3188
H10	2.0788	2.6247	1.0828	3.3285	3.0490	1.7610	3.7198	3.6003	2.3896		1.7514	3.6003	4.1410	2.3188
H11	2.0788	3.3285	1.0828	2.6247	3.7198	1.7610	3.0490	4.1410	3.6003	1.7514		2.3896	3.6003	2.3188
H12	2.0788	3.3285	2.6247	1.0828	3.7198	3.0490	1.7610	3.6003	4.1410	3.6003	2.3896		1.7514	2.3188
H13	2.0788	2.6247	3.3285	1.0828	3.0490	3.7198	1.7610	2.3896	3.6003	4.1410	3.6003	1.7514		2.3188
X14	1.0000	1.9787	1.9787	1.9787	2.9182	2.9182	2.9182	2.3188	2.3188	2.3188	2.3188	2.3188	2.3188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	112.853	N1	C2	H8	109.982
N1	C2	H9	109.982	N1	C3	H6	112.853
N1	C3	H10	109.982	N1	C3	H11	109.982
N1	C4	H7	112.853	N1	C4	H12	109.982
N1	C4	H13	109.982	C2	N1	C3	112.012
C2	N1	C4	112.012	C2	N1	X14	106.792
C3	N1	C4	112.012	C3	N1	X14	106.792
C4	N1	X14	106.792	H5	C2	H8	107.962
H5	C2	H9	107.962	H6	C3	H10	107.962
H6	C3	H11	107.962	H7	C4	H12	107.962
H7	C4	H13	107.962	H8	C2	H9	107.950
H10	C3	H11	107.950	H12	C4	H13	107.950

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

using model chemistry: HF/cc-pVTZ

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	CHELPG	AIM	ESP
1	N	-0.191	-0.357	-1.330	-0.194
2	C	-0.178	-0.046	0.616	-0.317
3	C	-0.178	-0.028	0.616	-0.243
4	C	-0.178	-0.028	0.616	-0.292
5	H	0.052	0.040	-0.081	0.113
6	H	0.052	0.036	-0.081	0.098
7	H	0.052	0.036	-0.081	0.106
8	H	0.095	0.061	-0.048	0.129
9	H	0.095	0.061	-0.048	0.133
10	H	0.095	0.056	-0.048	0.111
11	H	0.095	0.056	-0.048	0.108
12	H	0.095	0.056	-0.048	0.124
13	H	0.095	0.056	-0.048	0.126

	x	y	z	Total
	0.000	0.000	-0.598	0.598
CHELPG
AIM	0.000	0.000	0.533	0.533
ESP	0.010	0.014	-0.677	0.677

<r²>	89.700
(<r²>)^1/2	9.471

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

using model chemistry: HF/cc-pVTZ

States and conformations

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