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	hartrees
Energy at 0K	-95.834529
Energy at 298.15K
HF Energy	-95.834529
Nuclear repulsion energy	41.574056

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'	3368	3355	4.67	118.18	0.11	0.21
2	A'	2973	2962	41.52	109.08	0.20	0.34
3	A'	2859	2847	115.67	160.24	0.23	0.37
4	A'	1627	1621	19.61	7.91	0.71	0.83
5	A'	1458	1453	7.41	18.62	0.65	0.78
6	A'	1423	1417	2.85	5.86	0.60	0.75
7	A'	1140	1136	6.27	3.38	0.40	0.57
8	A'	1008	1004	3.90	8.37	0.34	0.50
9	A'	835	832	154.08	3.52	0.67	0.80
10	A"	3440	3426	1.85	70.70	0.75	0.86
11	A"	3008	2996	40.54	78.66	0.75	0.86
12	A"	1482	1476	2.89	16.39	0.75	0.86
13	A"	1320	1314	0.28	2.40	0.75	0.86
14	A"	958	954	0.01	0.25	0.75	0.86
15	A"	313	311	37.24	1.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.712	0.000
N2	0.052	-0.770	0.000
H3	-0.946	1.196	0.000
H4	0.599	1.071	0.884
H5	0.599	1.071	-0.884
H6	-0.465	-1.110	-0.816
H7	-0.465	-1.110	0.816

	C1	N2	H3	H4	H5	H6	H7
C1		1.4811	1.1094	1.0998	1.0998	2.0619	2.0619
N2	1.4811		2.2043	2.1138	2.1138	1.0243	1.0243
H3	1.1094	2.2043		1.7841	1.7841	2.4928	2.4928
H4	1.0998	2.1138	1.7841		1.7684	2.9629	2.4276
H5	1.0998	2.1138	1.7841	1.7684		2.4276	2.9629
H6	2.0619	1.0243	2.4928	2.9629	2.4276		1.6317
H7	2.0619	1.0243	2.4928	2.4276	2.9629	1.6317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.419	C1	N2	H7	109.419
N2	C1	H3	115.879	N2	C1	H4	109.079
N2	C1	H5	109.079	H3	C1	H4	107.716
H3	C1	H5	107.716	H4	C1	H5	107.020
H6	N2	H7	105.599

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

using model chemistry: BLYP/6-311G**

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	-0.210
2	N	-0.448
3	H	0.081
4	H	0.107
5	H	0.107
6	H	0.182
7	H	0.182

	x	y	z	Total
	-1.323	0.330	0.000	1.363
CHELPG
AIM
ESP

	x	y	z
x	2.905	0.139	0.000
y	0.139	3.564	0.000
z	0.000	0.000	3.212

<r²>	27.143
(<r²>)^1/2	5.210

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

using model chemistry: BLYP/6-311G**

States and conformations

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