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	hartrees
Energy at 0K	-95.839251
Energy at 298.15K
HF Energy	-95.839251
Nuclear repulsion energy	41.855683

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'	3437	3392	2.47	115.03	0.08	0.16
2	A'	3002	2963	36.74	109.50	0.26	0.42
3	A'	2903	2865	105.38	161.48	0.16	0.27
4	A'	1633	1612	20.37	2.54	0.73	0.85
5	A'	1470	1451	6.61	6.00	0.69	0.82
6	A'	1430	1411	2.53	0.82	0.48	0.65
7	A'	1147	1132	5.23	0.22	0.40	0.57
8	A'	1027	1014	10.36	8.31	0.12	0.21
9	A'	814	803	141.16	1.75	0.59	0.74
10	A"	3515	3470	0.48	52.75	0.75	0.86
11	A"	3040	3001	34.35	61.15	0.75	0.86
12	A"	1490	1470	4.26	6.79	0.75	0.86
13	A"	1321	1303	0.07	0.68	0.75	0.86
14	A"	959	946	0.06	0.22	0.75	0.86
15	A"	292	288	31.37	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.708	0.000
N2	0.051	-0.761	0.000
H3	-0.947	1.178	0.000
H4	0.592	1.067	0.881
H5	0.592	1.067	-0.881
H6	-0.447	-1.115	-0.813
H7	-0.447	-1.115	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4688	1.1030	1.0949	1.0949	2.0566	2.0566
N2	1.4688		2.1810	2.1003	2.1003	1.0165	1.0165
H3	1.1030	2.1810		1.7767	1.7767	2.4840	2.4840
H4	1.0949	2.1003	1.7767		1.7630	2.9511	2.4171
H5	1.0949	2.1003	1.7767	1.7630		2.4171	2.9511
H6	2.0566	1.0165	2.4840	2.9511	2.4171		1.6261
H7	2.0566	1.0165	2.4840	2.4171	2.9511	1.6261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.361	C1	N2	H7	110.361
N2	C1	H3	115.260	N2	C1	H4	109.155
N2	C1	H5	109.155	H3	C1	H4	107.869
H3	C1	H5	107.869	H4	C1	H5	107.241
H6	N2	H7	106.234

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.064
2	N	-0.706
3	H	0.096
4	H	0.102
5	H	0.102
6	H	0.171
7	H	0.171

	x	y	z	Total
	-1.246	0.356	0.000	1.295
CHELPG
AIM
ESP

	x	y	z
x	3.699	-0.060	0.000
y	-0.060	4.265	0.000
z	0.000	0.000	3.564

<r²>	26.979
(<r²>)^1/2	5.194

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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