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	hartrees
Energy at 0K	-95.818220
Energy at 298.15K
HF Energy	-95.675887
Nuclear repulsion energy	42.084171

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'	3536	3536	0.60	109.82	0.08	0.14
2	A'	3093	3093	30.16	95.80	0.31	0.47
3	A'	3007	3007	81.56	144.95	0.11	0.20
4	A'	1670	1670	23.01	2.20	0.75	0.86
5	A'	1518	1518	6.46	5.34	0.72	0.84
6	A'	1474	1474	1.94	0.53	0.59	0.74
7	A'	1180	1180	5.94	0.20	0.41	0.58
8	A'	1070	1070	12.66	9.42	0.13	0.24
9	A'	831	831	148.33	1.41	0.64	0.78
10	A"	3617	3617	3.01	48.50	0.75	0.86
11	A"	3130	3130	27.10	55.88	0.75	0.86
12	A"	1537	1537	4.76	6.33	0.75	0.86
13	A"	1354	1354	0.05	0.73	0.75	0.86
14	A"	980	980	0.04	0.14	0.75	0.86
15	A"	296	296	32.22	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.705	0.000
N2	0.049	-0.756	0.000
H3	-0.943	1.168	0.000
H4	0.586	1.063	0.876
H5	0.586	1.063	-0.876
H6	-0.434	-1.117	-0.812
H7	-0.434	-1.117	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4612	1.0945	1.0879	1.0879	2.0522	2.0522
N2	1.4612		2.1643	2.0890	2.0890	1.0108	1.0108
H3	1.0945	2.1643		1.7653	1.7653	2.4771	2.4771
H4	1.0879	2.0890	1.7653		1.7520	2.9391	2.4072
H5	1.0879	2.0890	1.7653	1.7520		2.4072	2.9391
H6	2.0522	1.0108	2.4771	2.9391	2.4072		1.6232
H7	2.0522	1.0108	2.4771	2.4072	2.9391	1.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.913	C1	N2	H7	110.913
N2	C1	H3	114.983	N2	C1	H4	109.192
N2	C1	H5	109.192	H3	C1	H4	107.970
H3	C1	H5	107.970	H4	C1	H5	107.259
H6	N2	H7	106.815

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

using model chemistry: B2PLYP=FULLultrafine/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	0.014
2	N	-0.767
3	H	0.120
4	H	0.130
5	H	0.130
6	H	0.186
7	H	0.186

	x	y	z	Total
	-1.272	0.387	0.000	1.329
CHELPG
AIM
ESP

	x	y	z
x	3.518	-0.039	0.001
y	-0.039	4.047	-0.000
z	0.001	-0.000	3.427

<r²>	26.819
(<r²>)^1/2	5.179

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

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