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	hartrees
Energy at 0K	-95.798786
Energy at 298.15K
HF Energy	-95.798786
Nuclear repulsion energy	42.057873

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'	3621	3428	0.14	103.93	0.13	0.23
2	A'	3104	2938	48.12	93.65	0.25	0.39
3	A'	2976	2817	129.49	154.09	0.19	0.32
4	A'	1728	1635	29.33	8.92	0.68	0.81
5	A'	1551	1468	11.81	28.81	0.67	0.80
6	A'	1513	1432	2.80	13.30	0.66	0.79
7	A'	1179	1116	10.99	9.09	0.54	0.70
8	A'	1128	1068	14.71	6.46	0.42	0.59
9	A'	561	531	351.05	6.11	0.28	0.43
10	A"	3743	3543	2.32	55.88	0.75	0.86
11	A"	3155	2987	37.06	73.77	0.75	0.86
12	A"	1573	1489	4.00	25.47	0.75	0.86
13	A"	1354	1282	0.07	3.86	0.75	0.86
14	A"	988	936	2.72	0.85	0.75	0.86
15	A"	279	264	48.96	4.21	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	1.184	0.000
H4	0.572	1.073	0.878
H5	0.572	1.073	-0.878
H6	-0.301	-1.187	-0.840
H7	-0.301	-1.187	0.840

	C1	N2	H3	H4	H5	H6	H7
C1		1.4501	1.1042	1.0935	1.0935	2.0992	2.0992
N2	1.4501		2.1688	2.0880	2.0880	1.0074	1.0074
H3	1.1042	2.1688		1.7722	1.7722	2.6014	2.6014
H4	1.0935	2.0880	1.7722		1.7563	2.9706	2.4233
H5	1.0935	2.0880	1.7722	1.7563		2.4233	2.9706
H6	2.0992	1.0074	2.6014	2.9706	2.4233		1.6807
H7	2.0992	1.0074	2.6014	2.4233	2.9706	1.6807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.182	C1	N2	H7	116.182
N2	C1	H3	115.564	N2	C1	H4	109.547
N2	C1	H5	109.547	H3	C1	H4	107.487
H3	C1	H5	107.487	H4	C1	H5	106.840
H6	N2	H7	113.058

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	-0.323
2	N	-0.761
3	H	0.135
4	H	0.172
5	H	0.172
6	H	0.303
7	H	0.303

	x	y	z	Total
	-1.218	0.088	0.000	1.221
CHELPG
AIM
ESP

	x	y	z
x	2.190	0.061	0.000
y	0.061	3.014	0.000
z	0.000	0.000	2.750

<r²>	26.546
(<r²>)^1/2	5.152

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)