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	hartrees
Energy at 0K	-95.831677
Energy at 298.15K
HF Energy	-95.831677
Nuclear repulsion energy	42.031032

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'	3521	3385	0.44	97.24	0.11	0.19
2	A'	3073	2954	37.54	84.15	0.30	0.46
3	A'	2972	2858	86.13	119.80	0.15	0.26
4	A'	1664	1600	19.02	7.58	0.68	0.81
5	A'	1493	1436	6.83	17.80	0.70	0.82
6	A'	1454	1398	1.63	5.62	0.63	0.77
7	A'	1179	1133	7.02	2.70	0.56	0.71
8	A'	1082	1041	8.59	7.95	0.29	0.46
9	A'	855	822	150.10	3.59	0.67	0.80
10	A"	3602	3463	0.31	57.24	0.75	0.86
11	A"	3115	2995	28.86	65.86	0.75	0.86
12	A"	1514	1455	2.50	17.67	0.75	0.86
13	A"	1353	1301	0.11	2.54	0.75	0.86
14	A"	978	940	0.08	0.31	0.75	0.86
15	A"	317	304	35.88	1.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.700	0.000
N2	0.052	-0.758	0.000
H3	-0.942	1.179	0.000
H4	0.593	1.063	0.880
H5	0.593	1.063	-0.880
H6	-0.456	-1.100	-0.809
H7	-0.456	-1.100	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4584	1.1031	1.0951	1.0951	2.0376	2.0376
N2	1.4584		2.1772	2.0939	2.0939	1.0143	1.0143
H3	1.1031	2.1772		1.7732	1.7732	2.4662	2.4662
H4	1.0951	2.0939	1.7732		1.7606	2.9378	2.4047
H5	1.0951	2.0939	1.7732	1.7606		2.4047	2.9378
H6	2.0376	1.0143	2.4662	2.9378	2.4047		1.6176
H7	2.0376	1.0143	2.4662	2.4047	2.9378	1.6176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.674	C1	N2	H7	109.674
N2	C1	H3	115.723	N2	C1	H4	109.347
N2	C1	H5	109.347	H3	C1	H4	107.539
H3	C1	H5	107.539	H4	C1	H5	106.990
H6	N2	H7	105.771

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.352
2	N	-0.545
3	H	0.114
4	H	0.144
5	H	0.144
6	H	0.247
7	H	0.247

	x	y	z	Total
	-1.264	0.272	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	2.703	0.136	0.000
y	0.136	3.305	0.000
z	0.000	0.000	3.005

<r²>	26.419
(<r²>)^1/2	5.140

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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