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	hartrees
Energy at 0K	-95.691652
Energy at 298.15K
HF Energy	-95.691652
Nuclear repulsion energy	41.682823

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'	3470	3423	0.68	116.97	0.12	0.22
2	A'	3007	2966	47.13	99.45	0.21	0.34
3	A'	2857	2817	156.63	173.09	0.23	0.37
4	A'	1671	1648	23.03	11.80	0.64	0.78
5	A'	1496	1476	13.67	32.88	0.64	0.78
6	A'	1460	1439	2.85	14.84	0.66	0.79
7	A'	1137	1121	13.41	10.80	0.49	0.66
8	A'	1081	1067	9.03	6.26	0.44	0.61
9	A'	570	563	304.14	7.42	0.29	0.44
10	A"	3589	3539	0.03	60.52	0.75	0.86
11	A"	3060	3018	37.78	74.48	0.75	0.86
12	A"	1519	1498	3.35	27.42	0.75	0.86
13	A"	1314	1296	0.01	4.26	0.75	0.86
14	A"	963	950	1.60	1.06	0.75	0.86
15	A"	294	290	52.17	4.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.711	0.000
N2	0.037	-0.751	0.000
H3	-0.965	1.204	0.000
H4	0.583	1.077	0.886
H5	0.583	1.077	-0.886
H6	-0.338	-1.182	-0.845
H7	-0.338	-1.182	0.845

	C1	N2	H3	H4	H5	H6	H7
C1		1.4618	1.1169	1.1037	1.1037	2.1065	2.1065
N2	1.4618		2.1972	2.1042	2.1042	1.0198	1.0198
H3	1.1169	2.1972		1.7883	1.7883	2.6084	2.6084
H4	1.1037	2.1042	1.7883		1.7723	2.9918	2.4404
H5	1.1037	2.1042	1.7883	1.7723		2.4404	2.9918
H6	2.1065	1.0198	2.6084	2.9918	2.4404		1.6900
H7	2.1065	1.0198	2.6084	2.4404	2.9918	1.6900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.011	C1	N2	H7	115.011
N2	C1	H3	116.231	N2	C1	H4	109.411
N2	C1	H5	109.411	H3	C1	H4	107.281
H3	C1	H5	107.281	H4	C1	H5	106.811
H6	N2	H7	111.911

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

using model chemistry: PBEPBE/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	-0.318
2	N	-0.693
3	H	0.121
4	H	0.161
5	H	0.161
6	H	0.283
7	H	0.283

	x	y	z	Total
	-1.289	0.079	0.000	1.291
CHELPG
AIM
ESP

	x	y	z
x	2.292	0.057	0.000
y	0.057	3.212	0.000
z	0.000	0.000	2.860

<r²>	26.920
(<r²>)^1/2	5.188

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

using model chemistry: PBEPBE/6-31G

States and conformations

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