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	hartrees
Energy at 0K	-95.788117
Energy at 298.15K
HF Energy	-95.664416
Nuclear repulsion energy	41.987842

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'	3522	3522	1.03	103.94	0.12	0.21
2	A'	3089	3089	41.19	95.21	0.28	0.43
3	A'	2990	2990	93.01	139.81	0.16	0.27
4	A'	1677	1677	23.12	6.66	0.73	0.85
5	A'	1513	1513	7.06	15.58	0.68	0.81
6	A'	1476	1476	2.42	4.31	0.67	0.80
7	A'	1189	1189	8.62	2.46	0.45	0.62
8	A'	1072	1072	8.34	9.01	0.29	0.45
9	A'	875	875	158.44	2.95	0.64	0.78
10	A"	3602	3602	0.01	62.12	0.75	0.86
11	A"	3127	3127	36.62	72.04	0.75	0.86
12	A"	1535	1535	3.14	14.93	0.75	0.86
13	A"	1367	1367	0.17	2.25	0.75	0.86
14	A"	987	987	0.01	0.21	0.75	0.86
15	A"	325	325	38.90	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.704	0.000
N2	0.051	-0.760	0.000
H3	-0.942	1.176	0.000
H4	0.591	1.064	0.878
H5	0.591	1.064	-0.878
H6	-0.452	-1.103	-0.810
H7	-0.452	-1.103	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4647	1.0996	1.0917	1.0917	2.0439	2.0439
N2	1.4647		2.1761	2.0951	2.0951	1.0135	1.0135
H3	1.0996	2.1761		1.7709	1.7709	2.4680	2.4680
H4	1.0917	2.0951	1.7709		1.7560	2.9384	2.4061
H5	1.0917	2.0951	1.7709	1.7560		2.4061	2.9384
H6	2.0439	1.0135	2.4680	2.9384	2.4061		1.6199
H7	2.0439	1.0135	2.4680	2.4061	2.9384	1.6199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.784	C1	N2	H7	109.784
N2	C1	H3	115.385	N2	C1	H4	109.206
N2	C1	H5	109.206	H3	C1	H4	107.827
H3	C1	H5	107.827	H4	C1	H5	107.073
H6	N2	H7	106.111

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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	-0.192
2	N	-0.471
3	H	0.082
4	H	0.106
5	H	0.106
6	H	0.185
7	H	0.185

	x	y	z	Total
	-1.356	0.360	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	2.760	0.134	0.000
y	0.134	3.335	0.000
z	0.000	0.000	3.063

<r²>	26.701
(<r²>)^1/2	5.167

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

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