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	hartrees
Energy at 0K	-95.763472
Energy at 298.15K
HF Energy	-95.763472
Nuclear repulsion energy	41.803187

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'	3425	3425	1.66	117.11	0.08	0.15
2	A'	2993	2993	29.62	109.80	0.27	0.43
3	A'	2895	2895	95.54	164.81	0.15	0.27
4	A'	1609	1609	21.13	2.76	0.72	0.84
5	A'	1447	1447	7.05	6.10	0.69	0.82
6	A'	1407	1407	1.61	0.98	0.49	0.66
7	A'	1132	1132	4.76	0.32	0.23	0.38
8	A'	1040	1040	10.07	7.26	0.11	0.20
9	A'	800	800	142.88	2.02	0.49	0.66
10	A"	3502	3502	1.34	52.77	0.75	0.86
11	A"	3031	3031	26.36	60.64	0.75	0.86
12	A"	1468	1468	5.05	6.96	0.75	0.86
13	A"	1302	1302	0.18	0.65	0.75	0.86
14	A"	945	945	0.17	0.25	0.75	0.86
15	A"	290	290	31.63	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.706	0.000
N2	0.050	-0.760	0.000
H3	-0.948	1.183	0.000
H4	0.595	1.068	0.883
H5	0.595	1.068	-0.883
H6	-0.447	-1.117	-0.817
H7	-0.447	-1.117	0.817

	C1	N2	H3	H4	H5	H6	H7
C1		1.4664	1.1067	1.0987	1.0987	2.0591	2.0591
N2	1.4664		2.1851	2.1022	2.1022	1.0208	1.0208
H3	1.1067	2.1851		1.7814	1.7814	2.4923	2.4923
H4	1.0987	2.1022	1.7814		1.7662	2.9583	2.4223
H5	1.0987	2.1022	1.7814	1.7662		2.4223	2.9583
H6	2.0591	1.0208	2.4923	2.9583	2.4223		1.6331
H7	2.0591	1.0208	2.4923	2.4223	2.9583	1.6331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.485	C1	N2	H7	110.485
N2	C1	H3	115.547	N2	C1	H4	109.242
N2	C1	H5	109.242	H3	C1	H4	107.748
H3	C1	H5	107.748	H4	C1	H5	106.975
H6	N2	H7	106.243

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

using model chemistry: PBEPBEultrafine/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	0.080
2	N	-0.727
3	H	0.096
4	H	0.105
5	H	0.105
6	H	0.171
7	H	0.171

	x	y	z	Total
	-1.243	0.335	0.000	1.288
CHELPG
AIM
ESP

	x	y	z
x	3.736	-0.062	0.000
y	-0.062	4.303	0.000
z	0.000	0.000	3.594

<r²>	27.076
(<r²>)^1/2	5.203

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

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

States and conformations

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