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	hartrees
Energy at 0K	-95.900341
Energy at 298.15K
HF Energy	-95.900341
Nuclear repulsion energy	42.007735

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'	3508	3508	0.77	110.42	0.08	0.16
2	A'	3054	3054	31.74	104.36	0.26	0.41
3	A'	2965	2965	89.65	149.17	0.15	0.25
4	A'	1661	1661	22.77	2.37	0.74	0.85
5	A'	1501	1501	6.67	5.68	0.70	0.83
6	A'	1462	1462	1.86	0.69	0.52	0.69
7	A'	1168	1168	5.57	0.18	0.54	0.70
8	A'	1055	1055	12.61	8.41	0.14	0.25
9	A'	817	817	151.30	1.45	0.62	0.76
10	A"	3583	3583	2.23	51.36	0.75	0.86
11	A"	3089	3089	29.14	59.26	0.75	0.86
12	A"	1520	1520	4.83	6.59	0.75	0.86
13	A"	1343	1343	0.04	0.73	0.75	0.86
14	A"	972	972	0.10	0.16	0.75	0.86
15	A"	292	292	32.13	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.706	0.000
N2	0.049	-0.757	0.000
H3	-0.945	1.171	0.000
H4	0.587	1.066	0.877
H5	0.587	1.066	-0.877
H6	-0.432	-1.121	-0.813
H7	-0.432	-1.121	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4632	1.0973	1.0902	1.0902	2.0570	2.0570
N2	1.4632		2.1693	2.0932	2.0932	1.0124	1.0124
H3	1.0973	2.1693		1.7686	1.7686	2.4859	2.4859
H4	1.0902	2.0932	1.7686		1.7548	2.9458	2.4131
H5	1.0902	2.0932	1.7686	1.7548		2.4131	2.9458
H6	2.0570	1.0124	2.4859	2.9458	2.4131		1.6270
H7	2.0570	1.0124	2.4859	2.4131	2.9458	1.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.074	C1	N2	H7	111.074
N2	C1	H3	115.069	N2	C1	H4	109.253
N2	C1	H5	109.253	H3	C1	H4	107.897
H3	C1	H5	107.897	H4	C1	H5	107.185
H6	N2	H7	106.931

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

using model chemistry: B3LYPultrafine/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	-0.022
2	N	-0.740
3	H	0.121
4	H	0.130
5	H	0.130
6	H	0.191
7	H	0.191

	x	y	z	Total
	-1.254	0.359	0.000	1.304
CHELPG
AIM
ESP

	x	y	z
x	3.567	-0.043	0.000
y	-0.043	4.112	0.000
z	0.000	0.000	3.470

<r²>	26.889
(<r²>)^1/2	5.185

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

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