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	hartrees
Energy at 0K	-174.473548
Energy at 298.15K	-174.484120
Nuclear repulsion energy	138.967344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	2944	40.67
2	A₁	2920	2808	194.46
3	A₁	1493	1436	26.47
4	A₁	1473	1417	0.25
5	A₁	1202	1156	21.14
6	A₁	845	813	21.78
7	A₁	345	332	8.15
8	A₂	3103	2984	0.00
9	A₂	1481	1424	0.00
10	A₂	1063	1023	0.00
11	A₂	250	240	0.00
12	E	3107	2987	41.41
12	E	3107	2987	41.41
13	E	3059	2941	32.27
13	E	3059	2941	32.28
14	E	2907	2795	51.10
14	E	2907	2795	51.11
15	E	1505	1447	9.95
15	E	1505	1447	9.95
16	E	1473	1416	9.03
16	E	1473	1416	9.03
17	E	1431	1376	0.59
17	E	1431	1376	0.59
18	E	1311	1261	14.11
18	E	1311	1261	14.10
19	E	1115	1072	9.58
19	E	1115	1072	9.58
20	E	1067	1026	18.93
20	E	1067	1026	18.93
21	E	413	397	0.00
21	E	413	397	0.00
22	E	264	254	0.64
22	E	264	254	0.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.368
C2	0.000	1.381	-0.060
C3	1.196	-0.691	-0.060
C4	-1.196	-0.691	-0.060
H5	0.000	1.494	-1.160
H6	1.294	-0.747	-1.160
H7	-1.294	-0.747	-1.160
H8	-0.883	1.891	0.330
H9	0.883	1.891	0.330
H10	2.079	-0.181	0.330
H11	1.196	-1.711	0.330
H12	-1.196	-1.711	0.330
H13	-2.079	-0.181	0.330
X14	0.000	0.000	1.368

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4461	1.4461	1.4461	2.1365	2.1365	2.1365	2.0876	2.0876	2.0876	2.0876	2.0876	2.0876	1.0000
C2	1.4461		2.3927	2.3927	1.1056	2.7226	2.7226	1.0917	1.0917	2.6297	3.3381	3.3381	2.6297	1.9866
C3	1.4461	2.3927		2.3927	2.7226	1.1056	2.7226	3.3381	2.6297	1.0917	1.0917	2.6297	3.3381	1.9866
C4	1.4461	2.3927	2.3927		2.7226	2.7226	1.1056	2.6297	3.3381	3.3381	2.6297	1.0917	1.0917	1.9866
H5	2.1365	1.1056	2.7226	2.7226		2.5871	2.5871	1.7766	1.7766	3.0569	3.7304	3.7304	3.0569	2.9359
H6	2.1365	2.7226	1.1056	2.7226	2.5871		2.5871	3.7304	3.0569	1.7766	1.7766	3.0569	3.7304	2.9359
H7	2.1365	2.7226	2.7226	1.1056	2.5871	2.5871		3.0569	3.7304	3.7304	3.0569	1.7766	1.7766	2.9359
H8	2.0876	1.0917	3.3381	2.6297	1.7766	3.7304	3.0569		1.7668	3.6152	4.1589	3.6152	2.3921	2.3313
H9	2.0876	1.0917	2.6297	3.3381	1.7766	3.0569	3.7304	1.7668		2.3921	3.6152	4.1589	3.6152	2.3313
H10	2.0876	2.6297	1.0917	3.3381	3.0569	1.7766	3.7304	3.6152	2.3921		1.7668	3.6152	4.1589	2.3313
H11	2.0876	3.3381	1.0917	2.6297	3.7304	1.7766	3.0569	4.1589	3.6152	1.7668		2.3921	3.6152	2.3313
H12	2.0876	3.3381	2.6297	1.0917	3.7304	3.0569	1.7766	3.6152	4.1589	3.6152	2.3921		1.7668	2.3313
H13	2.0876	2.6297	3.3381	1.0917	3.0569	3.7304	1.7766	2.3921	3.6152	4.1589	3.6152	1.7668		2.3313
X14	1.0000	1.9866	1.9866	1.9866	2.9359	2.9359	2.9359	2.3313	2.3313	2.3313	2.3313	2.3313	2.3313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.028	N1	C2	H8	109.907
N1	C2	H9	109.907	N1	C3	H6	113.028
N1	C3	H10	109.907	N1	C3	H11	109.907
N1	C4	H7	113.028	N1	C4	H12	109.907
N1	C4	H13	109.907	C2	N1	C3	111.642
C2	N1	C4	111.642	C2	N1	X14	107.202
C3	N1	C4	111.642	C3	N1	X14	107.202
C4	N1	X14	107.202	H5	C2	H8	107.904
H5	C2	H9	107.904	H6	C3	H10	107.904
H6	C3	H11	107.904	H7	C4	H12	107.904
H7	C4	H13	107.904	H8	C2	H9	108.039
H10	C3	H11	108.039	H12	C4	H13	108.039

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

using model chemistry: B3PW91/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
1	N	-0.148
2	C	-0.168
3	C	-0.168
4	C	-0.168
5	H	0.045
6	H	0.045
7	H	0.045
8	H	0.086
9	H	0.086
10	H	0.086
11	H	0.086
12	H	0.086
13	H	0.086

<r²>	89.982
(<r²>)^1/2	9.486

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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