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	hartrees
Energy at 0K	-95.822220
Energy at 298.15K
HF Energy	-95.822220
Nuclear repulsion energy	42.038106

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'	3538	3538	1.07	97.59	0.13	0.23
2	A'	3111	3111	37.64	87.36	0.30	0.47
3	A'	3018	3018	82.37	126.08	0.15	0.26
4	A'	1728	1728	36.13	7.15	0.75	0.86
5	A'	1526	1526	8.20	15.17	0.70	0.83
6	A'	1477	1477	1.80	4.97	0.71	0.83
7	A'	1193	1193	10.60	2.56	0.54	0.70
8	A'	1091	1091	11.51	9.23	0.30	0.46
9	A'	887	887	176.89	2.74	0.66	0.79
10	A"	3616	3616	0.02	61.48	0.75	0.86
11	A"	3147	3147	32.33	69.66	0.75	0.86
12	A"	1546	1546	4.41	15.74	0.75	0.86
13	A"	1371	1371	0.17	3.03	0.75	0.86
14	A"	990	990	0.03	0.27	0.75	0.86
15	A"	334	334	45.32	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.703	0.000
N2	0.050	-0.758	0.000
H3	-0.943	1.172	0.000
H4	0.592	1.061	0.877
H5	0.592	1.061	-0.877
H6	-0.449	-1.104	-0.812
H7	-0.449	-1.104	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4616	1.0984	1.0912	1.0912	2.0429	2.0429
N2	1.4616		2.1711	2.0909	2.0909	1.0137	1.0137
H3	1.0984	2.1711		1.7714	1.7714	2.4664	2.4664
H4	1.0912	2.0909	1.7714		1.7544	2.9362	2.4027
H5	1.0912	2.0909	1.7714	1.7544		2.4027	2.9362
H6	2.0429	1.0137	2.4664	2.9362	2.4027		1.6234
H7	2.0429	1.0137	2.4664	2.4027	2.9362	1.6234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.922	C1	N2	H7	109.922
N2	C1	H3	115.276	N2	C1	H4	109.124
N2	C1	H5	109.124	H3	C1	H4	108.000
H3	C1	H5	108.000	H4	C1	H5	107.004
H6	N2	H7	106.409

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.522
2	N	-0.773
3	H	0.198
4	H	0.227
5	H	0.227
6	H	0.322
7	H	0.322

	x	y	z	Total
	-1.456	0.394	0.000	1.508
CHELPG
AIM
ESP

	x	y	z
x	2.651	0.132	0.000
y	0.132	3.208	0.000
z	0.000	0.000	2.969

<r²>	26.643
(<r²>)^1/2	5.162

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

using model chemistry: M06-2X/6-311G*

States and conformations

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