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	hartrees
Energy at 0K	-173.411688
Energy at 298.15K	-173.422182
Nuclear repulsion energy	135.770001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2993	2977	44.50
2	A₁	2846	2830	198.02
3	A₁	1529	1520	22.13
4	A₁	1476	1468	0.01
5	A₁	1174	1167	4.48
6	A₁	747	743	16.12
7	A₁	324	323	12.29
8	A₂	3029	3012	0.00
9	A₂	1524	1515	0.00
10	A₂	1048	1042	0.00
11	A₂	282	281	0.00
12	E	3035	3018	47.23
12	E	3035	3018	47.22
13	E	2988	2971	31.17
13	E	2988	2971	31.18
14	E	2826	2811	49.14
14	E	2826	2811	49.15
15	E	1542	1533	4.27
15	E	1542	1533	4.27
16	E	1508	1499	15.93
16	E	1508	1499	15.93
17	E	1438	1430	0.51
17	E	1438	1430	0.51
18	E	1249	1242	2.28
18	E	1249	1242	2.28
19	E	1104	1098	11.01
19	E	1104	1098	11.01
20	E	994	989	25.83
20	E	994	989	25.83
21	E	404	402	0.08
21	E	404	402	0.08
22	E	267	265	0.93
22	E	267	265	0.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.385
C2	0.000	1.422	-0.066
C3	1.231	-0.711	-0.066
C4	-1.231	-0.711	-0.066
H5	0.000	1.536	-1.176
H6	1.330	-0.768	-1.176
H7	-1.330	-0.768	-1.176
H8	-0.895	1.924	0.335
H9	0.895	1.924	0.335
H10	2.114	-0.186	0.335
H11	1.218	-1.737	0.335
H12	-1.218	-1.737	0.335
H13	-2.114	-0.186	0.335
X14	0.000	0.000	1.385

	N1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13	X14
N1		1.4913	1.4913	1.4913	2.1904	2.1904	2.1904	2.1227	2.1227	2.1227	2.1227	2.1227	2.1227	1.0000
C2	1.4913		2.4622	2.4622	1.1165	2.7924	2.7924	1.1023	1.1023	2.6861	3.4095	3.4095	2.6861	2.0312
C3	1.4913	2.4622		2.4622	2.7924	1.1165	2.7924	3.4095	2.6861	1.1023	1.1023	2.6861	3.4095	2.0312
C4	1.4913	2.4622	2.4622		2.7924	2.7924	1.1165	2.6861	3.4095	3.4095	2.6861	1.1023	1.1023	2.0312
H5	2.1904	1.1165	2.7924	2.7924		2.6605	2.6605	1.7993	1.7993	3.1178	3.8060	3.8060	3.1178	2.9868
H6	2.1904	2.7924	1.1165	2.7924	2.6605		2.6605	3.8060	3.1178	1.7993	1.7993	3.1178	3.8060	2.9868
H7	2.1904	2.7924	2.7924	1.1165	2.6605	2.6605		3.1178	3.8060	3.8060	3.1178	1.7993	1.7993	2.9868
H8	2.1227	1.1023	3.4095	2.6861	1.7993	3.8060	3.1178		1.7909	3.6756	4.2278	3.6756	2.4369	2.3676
H9	2.1227	1.1023	2.6861	3.4095	1.7993	3.1178	3.8060	1.7909		2.4369	3.6756	4.2278	3.6756	2.3676
H10	2.1227	2.6861	1.1023	3.4095	3.1178	1.7993	3.8060	3.6756	2.4369		1.7909	3.6756	4.2278	2.3676
H11	2.1227	3.4095	1.1023	2.6861	3.8060	1.7993	3.1178	4.2278	3.6756	1.7909		2.4369	3.6756	2.3676
H12	2.1227	3.4095	2.6861	1.1023	3.8060	3.1178	1.7993	3.6756	4.2278	3.6756	2.4369		1.7909	2.3676
H13	2.1227	2.6861	3.4095	1.1023	3.1178	3.8060	1.7993	2.4369	3.6756	4.2278	3.6756	1.7909		2.3676
X14	1.0000	2.0312	2.0312	2.0312	2.9868	2.9868	2.9868	2.3676	2.3676	2.3676	2.3676	2.3676	2.3676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H5	113.483	N1	C2	H8	108.931
N1	C2	H9	108.931	N1	C3	H6	113.483
N1	C3	H10	108.931	N1	C3	H11	108.931
N1	C4	H7	113.483	N1	C4	H12	108.931
N1	C4	H13	108.931	C2	N1	C3	111.278
C2	N1	C4	111.278	C2	N1	X14	107.598
C3	N1	C4	111.278	C3	N1	X14	107.598
C4	N1	X14	107.598	H5	C2	H8	108.372
H5	C2	H9	108.372	H6	C3	H10	108.372
H6	C3	H11	108.372	H7	C4	H12	108.372
H7	C4	H13	108.372	H8	C2	H9	108.652
H10	C3	H11	108.652	H12	C4	H13	108.652

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

using model chemistry: BLYP/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	-0.430
2	C	-0.367
3	C	-0.367
4	C	-0.367
5	H	0.146
6	H	0.146
7	H	0.146
8	H	0.182
9	H	0.182
10	H	0.182
11	H	0.182
12	H	0.182
13	H	0.182

<r²>	93.359
(<r²>)^1/2	9.662

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

using model chemistry: BLYP/3-21G

States and conformations

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