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	hartrees
Energy at 0K	-95.863687
Energy at 298.15K
HF Energy	-95.863687
Nuclear repulsion energy	41.922721

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'	3493	3356	1.80	108.64	0.11	0.20
2	A'	3071	2951	41.88	89.55	0.25	0.40
3	A'	2964	2848	100.14	124.50	0.19	0.31
4	A'	1675	1609	19.36	11.14	0.67	0.80
5	A'	1513	1454	8.21	23.36	0.70	0.82
6	A'	1474	1416	3.18	8.38	0.65	0.79
7	A'	1182	1136	6.83	5.15	0.46	0.63
8	A'	1068	1026	7.45	8.35	0.35	0.52
9	A'	856	823	167.85	5.60	0.60	0.75
10	A"	3575	3435	0.40	64.50	0.75	0.86
11	A"	3112	2990	35.57	69.91	0.75	0.86
12	A"	1532	1472	1.84	22.24	0.75	0.86
13	A"	1358	1305	0.11	4.18	0.75	0.86
14	A"	981	943	0.01	0.58	0.75	0.86
15	A"	326	313	42.73	2.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.703	0.000
N2	0.051	-0.761	0.000
H3	-0.942	1.185	0.000
H4	0.593	1.065	0.880
H5	0.593	1.065	-0.880
H6	-0.456	-1.105	-0.812
H7	-0.456	-1.105	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4640	1.1037	1.0949	1.0949	2.0456	2.0456
N2	1.4640		2.1843	2.0976	2.0976	1.0171	1.0171
H3	1.1037	2.1843		1.7735	1.7735	2.4770	2.4770
H4	1.0949	2.0976	1.7735		1.7605	2.9442	2.4106
H5	1.0949	2.0976	1.7735	1.7605		2.4106	2.9442
H6	2.0456	1.0171	2.4770	2.9442	2.4106		1.6232
H7	2.0456	1.0171	2.4770	2.4106	2.9442	1.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.760	C1	N2	H7	109.760
N2	C1	H3	115.864	N2	C1	H4	109.269
N2	C1	H5	109.269	H3	C1	H4	107.531
H3	C1	H5	107.531	H4	C1	H5	107.017
H6	N2	H7	105.874

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

using model chemistry: B3LYPultrafine/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	-0.182
2	N	-0.597
3	H	0.081
4	H	0.113
5	H	0.113
6	H	0.236
7	H	0.236

	x	y	z	Total
	-1.382	0.324	0.000	1.420
CHELPG
AIM
ESP

	x	y	z
x	2.533	0.158	0.000
y	0.158	3.174	0.000
z	0.000	0.000	2.935

<r²>	26.610
(<r²>)^1/2	5.158

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

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

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