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	hartrees
Energy at 0K	-95.826723
Energy at 298.15K
HF Energy	-95.826723
Nuclear repulsion energy	42.074134

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'	3526	3344	1.12	102.95	0.12	0.21
2	A'	3111	2950	40.75	88.10	0.28	0.44
3	A'	3001	2846	98.58	126.84	0.18	0.30
4	A'	1716	1627	24.89	10.35	0.68	0.81
5	A'	1534	1455	8.58	23.72	0.70	0.82
6	A'	1490	1413	2.32	8.70	0.65	0.79
7	A'	1199	1137	7.65	4.91	0.48	0.65
8	A'	1102	1045	9.76	8.08	0.34	0.50
9	A'	879	834	179.44	5.35	0.60	0.75
10	A"	3615	3428	0.00	63.52	0.75	0.86
11	A"	3154	2991	32.88	71.43	0.75	0.86
12	A"	1553	1473	2.66	22.69	0.75	0.86
13	A"	1377	1306	0.17	3.85	0.75	0.86
14	A"	993	942	0.05	0.54	0.75	0.86
15	A"	335	317	47.64	2.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.699	0.000
N2	0.051	-0.756	0.000
H3	-0.942	1.180	0.000
H4	0.593	1.059	0.879
H5	0.593	1.059	-0.879
H6	-0.453	-1.101	-0.811
H7	-0.453	-1.101	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4555	1.1028	1.0939	1.0939	2.0376	2.0376
N2	1.4555		2.1756	2.0884	2.0884	1.0150	1.0150
H3	1.1028	2.1756		1.7732	1.7732	2.4694	2.4694
H4	1.0939	2.0884	1.7732		1.7588	2.9352	2.4006
H5	1.0939	2.0884	1.7732	1.7588		2.4006	2.9352
H6	2.0376	1.0150	2.4694	2.9352	2.4006		1.6217
H7	2.0376	1.0150	2.4694	2.4006	2.9352	1.6217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.853	C1	N2	H7	109.853
N2	C1	H3	115.828	N2	C1	H4	109.180
N2	C1	H5	109.180	H3	C1	H4	107.645
H3	C1	H5	107.645	H4	C1	H5	107.008
H6	N2	H7	106.049

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

using model chemistry: mPW1PW91/6-31G*

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	-0.381
2	N	-0.750
3	H	0.144
4	H	0.178
5	H	0.178
6	H	0.316
7	H	0.316

	x	y	z	Total
	-1.454	0.344	0.000	1.494
CHELPG
AIM
ESP

	x	y	z
x	2.462	0.137	0.000
y	0.137	3.069	0.000
z	0.000	0.000	2.843

<r²>	26.415
(<r²>)^1/2	5.140

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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