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	hartrees
Energy at 0K	-174.416622
Energy at 298.15K	-174.427196
Nuclear repulsion energy	138.482004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2965	48.93
2	A₁	2926	2823	180.29
3	A₁	1473	1421	21.32
4	A₁	1455	1404	4.79
5	A₁	1191	1149	18.70
6	A₁	857	827	22.53
7	A₁	347	335	7.80
8	A₂	3120	3011	0.00
9	A₂	1457	1406	0.00
10	A₂	1054	1017	0.00
11	A₂	250	241	0.00
12	E	3123	3014	39.32
12	E	3123	3014	39.32
13	E	3070	2963	31.89
13	E	3070	2963	31.88
14	E	2910	2808	56.57
14	E	2910	2808	56.58
15	E	1484	1432	10.31
15	E	1484	1432	10.31
16	E	1447	1396	10.80
16	E	1447	1396	10.81
17	E	1416	1366	2.80
17	E	1416	1366	2.80
18	E	1312	1266	14.12
18	E	1312	1266	14.12
19	E	1106	1067	11.80
19	E	1106	1067	11.81
20	E	1071	1033	14.06
20	E	1071	1033	14.06
21	E	415	401	0.01
21	E	415	401	0.01
22	E	268	259	0.71
22	E	268	259	0.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.372
C2	0.000	1.382	-0.060
C3	1.197	-0.691	-0.060
C4	-1.197	-0.691	-0.060
H5	0.000	1.499	-1.170
H6	1.298	-0.750	-1.170
H7	-1.298	-0.750	-1.170
H8	-0.890	1.898	0.332
H9	0.890	1.898	0.332
H10	2.089	-0.178	0.332
H11	1.199	-1.720	0.332
H12	-1.199	-1.720	0.332
H13	-2.089	-0.178	0.332
X14	0.000	0.000	1.372

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4480	1.4480	1.4480	2.1502	2.1502	2.1502	2.0972	2.0972	2.0972	2.0972	2.0972	2.0972	1.0000
C2	1.4480		2.3938	2.3938	1.1158	2.7314	2.7314	1.1014	1.1014	2.6369	3.3490	3.3490	2.6369	1.9900
C3	1.4480	2.3938		2.3938	2.7314	1.1158	2.7314	3.3490	2.6369	1.1014	1.1014	2.6369	3.3490	1.9900
C4	1.4480	2.3938	2.3938		2.7314	2.7314	1.1158	2.6369	3.3490	3.3490	2.6369	1.1014	1.1014	1.9900
H5	2.1502	1.1158	2.7314	2.7314		2.5965	2.5965	1.7910	1.7910	3.0715	3.7493	3.7493	3.0715	2.9506
H6	2.1502	2.7314	1.1158	2.7314	2.5965		2.5965	3.7493	3.0715	1.7910	1.7910	3.0715	3.7493	2.9506
H7	2.1502	2.7314	2.7314	1.1158	2.5965	2.5965		3.0715	3.7493	3.7493	3.0715	1.7910	1.7910	2.9506
H8	2.0972	1.1014	3.3490	2.6369	1.7910	3.7493	3.0715		1.7806	3.6319	4.1785	3.6319	2.3980	2.3404
H9	2.0972	1.1014	2.6369	3.3490	1.7910	3.0715	3.7493	1.7806		2.3980	3.6319	4.1785	3.6319	2.3404
H10	2.0972	2.6369	1.1014	3.3490	3.0715	1.7910	3.7493	3.6319	2.3980		1.7806	3.6319	4.1785	2.3404
H11	2.0972	3.3490	1.1014	2.6369	3.7493	1.7910	3.0715	4.1785	3.6319	1.7806		2.3980	3.6319	2.3404
H12	2.0972	3.3490	2.6369	1.1014	3.7493	3.0715	1.7910	3.6319	4.1785	3.6319	2.3980		1.7806	2.3404
H13	2.0972	2.6369	3.3490	1.1014	3.0715	3.7493	1.7910	2.3980	3.6319	4.1785	3.6319	1.7806		2.3404
X14	1.0000	1.9900	1.9900	1.9900	2.9506	2.9506	2.9506	2.3404	2.3404	2.3404	2.3404	2.3404	2.3404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.370	N1	C2	H8	109.959
N1	C2	H9	109.959	N1	C3	H6	113.370
N1	C3	H10	109.959	N1	C3	H11	109.959
N1	C4	H7	113.370	N1	C4	H12	109.959
N1	C4	H13	109.959	C2	N1	C3	111.506
C2	N1	C4	111.506	C2	N1	X14	107.351
C3	N1	C4	111.506	C3	N1	X14	107.351
C4	N1	X14	107.351	H5	C2	H8	107.755
H5	C2	H9	107.755	H6	C3	H10	107.755
H6	C3	H11	107.755	H7	C4	H12	107.755
H7	C4	H13	107.755	H8	C2	H9	107.864
H10	C3	H11	107.863	H12	C4	H13	107.863

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

using model chemistry: B3PW91/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	-0.311
2	C	0.013
3	C	0.013
4	C	0.013
5	H	0.011
6	H	0.011
7	H	0.011
8	H	0.040
9	H	0.040
10	H	0.040
11	H	0.040
12	H	0.040
13	H	0.040

<r²>	90.269
(<r²>)^1/2	9.501

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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