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	hartrees
Energy at 0K	-95.840331
Energy at 298.15K
HF Energy	-95.840331
Nuclear repulsion energy	42.106863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3547	3386	0.32	94.90	0.11	0.19
2	A'	3093	2953	36.98	82.49	0.31	0.48
3	A'	2994	2858	82.64	118.40	0.14	0.25
4	A'	1673	1597	19.75	7.23	0.69	0.81
5	A'	1502	1434	6.79	17.24	0.70	0.82
6	A'	1462	1396	1.53	5.30	0.63	0.77
7	A'	1186	1132	7.26	2.56	0.57	0.73
8	A'	1094	1044	9.49	8.01	0.29	0.45
9	A'	861	822	150.24	3.44	0.66	0.80
10	A"	3629	3464	0.59	55.85	0.75	0.86
11	A"	3135	2993	27.91	65.16	0.75	0.86
12	A"	1522	1453	2.64	17.23	0.75	0.86
13	A"	1361	1300	0.11	2.44	0.75	0.86
14	A"	983	938	0.08	0.30	0.75	0.86
15	A"	318	304	36.03	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.699	0.000
N2	0.051	-0.757	0.000
H3	-0.941	1.176	0.000
H4	0.592	1.061	0.879
H5	0.592	1.061	-0.879
H6	-0.454	-1.098	-0.808
H7	-0.454	-1.098	0.808

	C1	N2	H3	H4	H5	H6	H7
C1		1.4556	1.1012	1.0935	1.0935	2.0342	2.0342
N2	1.4556		2.1723	2.0902	2.0902	1.0124	1.0124
H3	1.1012	2.1723		1.7707	1.7707	2.4616	2.4616
H4	1.0935	2.0902	1.7707		1.7580	2.9330	2.4005
H5	1.0935	2.0902	1.7707	1.7580		2.4005	2.9330
H6	2.0342	1.0124	2.4616	2.9330	2.4005		1.6155
H7	2.0342	1.0124	2.4616	2.4005	2.9330	1.6155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.717	C1	N2	H7	109.717
N2	C1	H3	115.652	N2	C1	H4	109.350
N2	C1	H5	109.350	H3	C1	H4	107.572
H3	C1	H5	107.572	H4	C1	H5	106.996
H6	N2	H7	105.850

All results from a given calculation for CH₃NH₂ (methyl amine)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	C	-0.355
2	N	-0.555
3	H	0.117
4	H	0.147
5	H	0.147
6	H	0.249
7	H	0.249

	x	y	z	Total
	-1.267	0.277	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	2.683	0.134	0.000
y	0.134	3.276	0.000
z	0.000	0.000	2.981

<r²>	26.344
(<r²>)^1/2	5.133

All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NH₂ (methyl amine)