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	hartrees
Energy at 0K	-95.711853
Energy at 298.15K
HF Energy	-95.711853
Nuclear repulsion energy	42.046170

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'	3614	3457	0.15	105.64	0.13	0.23
2	A'	3097	2963	47.81	93.88	0.24	0.39
3	A'	2968	2839	130.69	154.44	0.19	0.32
4	A'	1724	1649	29.33	9.14	0.67	0.80
5	A'	1546	1479	11.87	29.12	0.67	0.80
6	A'	1508	1443	2.86	13.73	0.66	0.80
7	A'	1176	1125	11.83	8.98	0.55	0.71
8	A'	1129	1080	14.02	6.59	0.41	0.58
9	A'	560	536	350.04	6.23	0.28	0.44
10	A"	3735	3573	2.27	56.45	0.75	0.86
11	A"	3149	3012	36.65	73.58	0.75	0.86
12	A"	1568	1500	3.99	25.75	0.75	0.86
13	A"	1351	1293	0.06	3.82	0.75	0.86
14	A"	986	943	2.66	0.87	0.75	0.86
15	A"	280	268	49.10	4.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.032	0.707	0.000
N2	0.032	-0.743	0.000
H3	-0.964	1.185	0.000
H4	0.572	1.074	0.879
H5	0.572	1.074	-0.879
H6	-0.301	-1.187	-0.841
H7	-0.301	-1.187	0.841

	C1	N2	H3	H4	H5	H6	H7
C1		1.4493	1.1056	1.0948	1.0948	2.0991	2.0991
N2	1.4493		2.1703	2.0887	2.0887	1.0082	1.0082
H3	1.1056	2.1703		1.7737	1.7737	2.6033	2.6033
H4	1.0948	2.0887	1.7737		1.7577	2.9721	2.4243
H5	1.0948	2.0887	1.7737	1.7577		2.4243	2.9721
H6	2.0991	1.0082	2.6033	2.9721	2.4243		1.6819
H7	2.0991	1.0082	2.6033	2.4243	2.9721	1.6819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.182	C1	N2	H7	116.182
N2	C1	H3	115.656	N2	C1	H4	109.582
N2	C1	H5	109.582	H3	C1	H4	107.429
H3	C1	H5	107.429	H4	C1	H5	106.783
H6	N2	H7	113.050

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

using model chemistry: HSEh1PBE/6-31G

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	-0.323
2	N	-0.757
3	H	0.134
4	H	0.171
5	H	0.171
6	H	0.302
7	H	0.302

	x	y	z	Total
	-1.214	0.074	0.000	1.216
CHELPG
AIM
ESP

	x	y	z
x	2.200	0.061	0.000
y	0.061	3.031	0.000
z	0.000	0.000	2.765

<r²>	26.578
(<r²>)^1/2	5.155

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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