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	hartrees
Energy at 0K	-95.864606
Energy at 298.15K
HF Energy	-95.864606
Nuclear repulsion energy	42.120466

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'	3558	3558	0.42	101.46	0.08	0.15
2	A'	3081	3081	31.63	93.24	0.31	0.47
3	A'	2992	2992	81.78	144.32	0.10	0.18
4	A'	1667	1667	25.25	2.24	0.75	0.86
5	A'	1507	1507	7.12	5.31	0.72	0.83
6	A'	1468	1468	1.44	0.62	0.55	0.71
7	A'	1176	1176	5.55	0.21	0.36	0.53
8	A'	1090	1090	13.88	8.25	0.14	0.24
9	A'	823	823	151.88	1.17	0.61	0.76
10	A"	3638	3638	3.52	46.16	0.75	0.86
11	A"	3120	3120	27.77	55.26	0.75	0.86
12	A"	1524	1524	5.61	6.32	0.75	0.86
13	A"	1348	1348	0.10	0.69	0.75	0.86
14	A"	982	982	0.11	0.10	0.75	0.86
15	A"	294	294	33.25	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.703	0.000
N2	0.049	-0.754	0.000
H3	-0.946	1.165	0.000
H4	0.587	1.063	0.877
H5	0.587	1.063	-0.877
H6	-0.431	-1.115	-0.813
H7	-0.431	-1.115	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4570	1.0969	1.0901	1.0901	2.0486	2.0486
N2	1.4570		2.1617	2.0880	2.0880	1.0105	1.0105
H3	1.0969	2.1617		1.7689	1.7689	2.4751	2.4751
H4	1.0901	2.0880	1.7689		1.7545	2.9386	2.4051
H5	1.0901	2.0880	1.7689	1.7545		2.4051	2.9386
H6	2.0486	1.0105	2.4751	2.9386	2.4051		1.6251
H7	2.0486	1.0105	2.4751	2.4051	2.9386	1.6251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.951	C1	N2	H7	110.951
N2	C1	H3	114.921	N2	C1	H4	109.274
N2	C1	H5	109.274	H3	C1	H4	107.961
H3	C1	H5	107.961	H4	C1	H5	107.169
H6	N2	H7	107.040

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

using model chemistry: wB97X-D/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	-0.009
2	N	-0.768
3	H	0.126
4	H	0.131
5	H	0.131
6	H	0.195
7	H	0.195

	x	y	z	Total
	-1.279	0.362	0.000	1.329
CHELPG
AIM
ESP

	x	y	z
x	3.513	-0.033	0.000
y	-0.033	4.020	0.000
z	0.000	0.000	3.442

<r²>	26.642
(<r²>)^1/2	5.162

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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