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	hartrees
Energy at 0K	-95.778281
Energy at 298.15K	-95.773915
HF Energy	-95.866171
Nuclear repulsion energy	41.940690

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'	3493	3371	0.80	98.81	0.11	0.20
2	A'	3060	2953	38.20	84.83	0.26	0.42
3	A'	2962	2859	87.70	114.99	0.17	0.29
4	A'	1667	1608	17.03	7.96	0.68	0.81
5	A'	1498	1446	6.58	17.90	0.70	0.82
6	A'	1461	1410	2.38	5.67	0.63	0.77
7	A'	1181	1140	7.85	2.98	0.53	0.69
8	A'	1064	1027	7.23	8.44	0.31	0.47
9	A'	857	827	145.61	3.73	0.66	0.80
10	A"	3568	3443	0.00	58.65	0.75	0.86
11	A"	3099	2990	31.27	65.40	0.75	0.86
12	A"	1519	1466	2.01	17.78	0.75	0.86
13	A"	1357	1309	0.05	3.00	0.75	0.86
14	A"	979	945	0.02	0.34	0.75	0.86
15	A"	315	304	34.34	1.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.703	0.000
N2	0.052	-0.761	0.000
H3	-0.943	1.180	0.000
H4	0.592	1.065	0.881
H5	0.592	1.065	-0.881
H6	-0.457	-1.103	-0.810
H7	-0.457	-1.103	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4642	1.1029	1.0950	1.0950	2.0440	2.0440
N2	1.4642		2.1811	2.0980	2.0980	1.0154	1.0154
H3	1.1029	2.1811		1.7735	1.7735	2.4712	2.4712
H4	1.0950	2.0980	1.7735		1.7620	2.9427	2.4096
H5	1.0950	2.0980	1.7735	1.7620		2.4096	2.9427
H6	2.0440	1.0154	2.4712	2.9427	2.4096		1.6192
H7	2.0440	1.0154	2.4712	2.4096	2.9427	1.6192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.366	C1	N2	H7	110.366
N2	C1	H3	115.694	N2	C1	H4	109.298
N2	C1	H5	109.298	H3	C1	H4	107.570
H3	C1	H5	107.570	H4	C1	H5	107.067
H6	N2	H7	106.548

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

using model chemistry: G4

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	-0.298
2	N	-0.490
3	H	0.094
4	H	0.122
5	H	0.122
6	H	0.225
7	H	0.225

	x	y	z	Total
	-1.244	0.271	0.000	1.273
CHELPG
AIM
ESP

<r²>	26.572
(<r²>)^1/2	5.155

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

using model chemistry: G4

States and conformations

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