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	hartrees
Energy at 0K	-95.762277
Energy at 298.15K	-95.757910
HF Energy	-95.853209
Nuclear repulsion energy	41.896385

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'	3468	3330	2.42	106.57	0.12	0.21
2	A'	3078	2956	42.04	89.45	0.25	0.39
3	A'	2968	2851	103.62	122.93	0.20	0.34
4	A'	1704	1636	21.13	11.24	0.68	0.81
5	A'	1528	1468	8.31	24.23	0.70	0.82
6	A'	1486	1427	3.24	8.93	0.65	0.79
7	A'	1193	1145	8.04	5.53	0.46	0.63
8	A'	1071	1029	7.15	8.44	0.36	0.53
9	A'	876	841	170.05	5.70	0.60	0.75
10	A"	3551	3410	0.84	65.64	0.75	0.86
11	A"	3118	2994	36.60	71.37	0.75	0.86
12	A"	1547	1486	1.94	23.03	0.75	0.86
13	A"	1371	1317	0.11	4.61	0.75	0.86
14	A"	988	949	0.00	0.59	0.75	0.86
15	A"	331	318	44.95	2.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.704	0.000
N2	0.052	-0.761	0.000
H3	-0.943	1.185	0.000
H4	0.594	1.063	0.882
H5	0.594	1.063	-0.882
H6	-0.458	-1.104	-0.812
H7	-0.458	-1.104	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4647	1.1048	1.0956	1.0956	2.0463	2.0463
N2	1.4647		2.1851	2.0971	2.0971	1.0186	1.0186
H3	1.1048	2.1851		1.7762	1.7762	2.4762	2.4762
H4	1.0956	2.0971	1.7762		1.7631	2.9447	2.4098
H5	1.0956	2.0971	1.7762	1.7631		2.4098	2.9447
H6	2.0463	1.0186	2.4762	2.9447	2.4098		1.6246
H7	2.0463	1.0186	2.4762	2.4098	2.9447	1.6246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.338	C1	N2	H7	110.338
N2	C1	H3	115.906	N2	C1	H4	109.145
N2	C1	H5	109.145	H3	C1	H4	107.618
H3	C1	H5	107.618	H4	C1	H5	107.056
H6	N2	H7	106.629

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

using model chemistry: G3B3

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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	x	y	Total
	-1.429	0.340	1.469
CHELPG	1.550	0.313	1.582
AIM	0.018	-0.371	0.371
ESP	-1.412	0.319	1.448

Number	Element	Mulliken
1	C	-0.309
2	N	-0.705
3	H	0.120
4	H	0.153
5	H	0.153
6	H	0.294
7	H	0.294

<r²>	26.637
(<r²>)^1/2	5.161

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

using model chemistry: G3B3

States and conformations

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