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	hartrees
Energy at 0K	-95.903411
Energy at 298.15K
HF Energy	-95.903411
Nuclear repulsion energy	42.008446

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'	3502	3388	1.00	129.20	0.08	0.14
2	A'	3057	2957	31.42	112.86	0.24	0.38
3	A'	2968	2871	89.41	169.37	0.13	0.23
4	A'	1661	1607	19.96	2.66	0.69	0.82
5	A'	1499	1450	6.45	5.48	0.66	0.80
6	A'	1458	1411	1.98	0.81	0.37	0.54
7	A'	1167	1129	5.61	0.18	0.15	0.27
8	A'	1052	1018	12.89	8.57	0.14	0.25
9	A'	819	792	144.62	1.41	0.26	0.41
10	A"	3577	3461	1.96	51.78	0.75	0.86
11	A"	3091	2990	28.59	59.27	0.75	0.86
12	A"	1518	1469	4.50	5.86	0.75	0.86
13	A"	1344	1300	0.05	0.36	0.75	0.86
14	A"	972	940	0.06	0.12	0.75	0.86
15	A"	291	282	30.98	0.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.707	0.000
N2	0.049	-0.757	0.000
H3	-0.945	1.171	0.000
H4	0.587	1.065	0.878
H5	0.587	1.065	-0.878
H6	-0.431	-1.121	-0.813
H7	-0.431	-1.121	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4637	1.0972	1.0902	1.0902	2.0567	2.0567
N2	1.4637		2.1694	2.0931	2.0931	1.0119	1.0119
H3	1.0972	2.1694		1.7689	1.7689	2.4854	2.4854
H4	1.0902	2.0931	1.7689		1.7551	2.9451	2.4123
H5	1.0902	2.0931	1.7689	1.7551		2.4123	2.9451
H6	2.0567	1.0119	2.4854	2.9451	2.4123		1.6264
H7	2.0567	1.0119	2.4854	2.4123	2.9451	1.6264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.048	C1	N2	H7	111.048
N2	C1	H3	115.055	N2	C1	H4	109.213
N2	C1	H5	109.213	H3	C1	H4	107.933
H3	C1	H5	107.933	H4	C1	H5	107.211
H6	N2	H7	106.959

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

using model chemistry: B3LYP/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.533
2	N	-0.368
3	H	0.228
4	H	0.255
5	H	0.255
6	H	0.081
7	H	0.081

	x	y	z	Total
	-1.234	0.356	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	3.756	-0.029	0.000
y	-0.029	4.318	0.000
z	0.000	0.000	3.638

<r²>	26.895
(<r²>)^1/2	5.186

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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