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	hartrees
Energy at 0K	-95.740455
Energy at 298.15K
HF Energy	-95.740455
Nuclear repulsion energy	41.969125

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'	3509	3374	0.87	112.98	0.11	0.20
2	A'	3087	2968	38.97	102.85	0.30	0.47
3	A'	2978	2864	93.81	153.60	0.15	0.26
4	A'	1655	1592	16.46	7.76	0.69	0.81
5	A'	1472	1416	8.91	18.53	0.66	0.80
6	A'	1440	1384	2.90	5.79	0.63	0.77
7	A'	1175	1129	5.78	2.50	0.50	0.66
8	A'	1102	1059	13.03	7.88	0.29	0.45
9	A'	874	840	140.24	3.88	0.69	0.82
10	A"	3588	3450	0.07	68.09	0.75	0.86
11	A"	3131	3011	28.27	79.77	0.75	0.86
12	A"	1493	1436	2.78	18.20	0.75	0.86
13	A"	1350	1298	0.52	1.49	0.75	0.86
14	A"	980	942	0.05	0.33	0.75	0.86
15	A"	331	319	37.43	1.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.696	0.000
N2	0.053	-0.758	0.000
H3	-0.943	1.187	0.000
H4	0.599	1.064	0.883
H5	0.599	1.064	-0.883
H6	-0.470	-1.095	-0.809
H7	-0.470	-1.095	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4540	1.1103	1.1017	1.1017	2.0340	2.0340
N2	1.4540		2.1847	2.0970	2.0970	1.0203	1.0203
H3	1.1103	2.1847		1.7817	1.7817	2.4670	2.4670
H4	1.1017	2.0970	1.7817		1.7666	2.9441	2.4106
H5	1.1017	2.0970	1.7817	1.7666		2.4106	2.9441
H6	2.0340	1.0203	2.4670	2.9441	2.4106		1.6172
H7	2.0340	1.0203	2.4670	2.4106	2.9441	1.6172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.330	C1	N2	H7	109.330
N2	C1	H3	116.206	N2	C1	H4	109.497
N2	C1	H5	109.497	H3	C1	H4	107.303
H3	C1	H5	107.303	H4	C1	H5	106.595
H6	N2	H7	104.844

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

using model chemistry: PBE1PBE/cc-pVDZ

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	-0.050
2	N	-0.241
3	H	0.022
4	H	0.048
5	H	0.048
6	H	0.086
7	H	0.086

	x	y	z	Total
	-1.284	0.249	0.000	1.308
CHELPG
AIM
ESP

	x	y	z
x	2.663	0.149	0.000
y	0.149	3.273	0.000
z	0.000	0.000	2.964

<r²>	26.502
(<r²>)^1/2	5.148

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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