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	hartrees
Energy at 0K	-95.810591
Energy at 298.15K
HF Energy	-95.679964
Nuclear repulsion energy	42.071733

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'	3527	3527	0.17	111.78	0.09	0.16
2	A'	3092	3092	33.79	97.72	0.27	0.43
3	A'	3004	3004	83.01	151.24	0.12	0.21
4	A'	1672	1672	20.18	5.31	0.69	0.82
5	A'	1513	1513	6.29	12.10	0.64	0.78
6	A'	1471	1471	1.97	2.20	0.54	0.70
7	A'	1183	1183	6.83	1.96	0.45	0.63
8	A'	1067	1067	10.26	9.46	0.24	0.39
9	A'	846	846	154.57	1.69	0.65	0.79
10	A"	3608	3608	1.13	54.89	0.75	0.86
11	A"	3129	3129	29.71	63.51	0.75	0.86
12	A"	1534	1534	3.65	10.78	0.75	0.86
13	A"	1358	1358	0.03	1.35	0.75	0.86
14	A"	981	981	0.01	0.01	0.75	0.86
15	A"	301	301	34.57	0.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.705	0.000
N2	0.050	-0.758	0.000
H3	-0.942	1.170	0.000
H4	0.588	1.062	0.876
H5	0.588	1.062	-0.876
H6	-0.441	-1.111	-0.810
H7	-0.441	-1.111	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4624	1.0953	1.0885	1.0885	2.0478	2.0478
N2	1.4624		2.1675	2.0903	2.0903	1.0107	1.0107
H3	1.0953	2.1675		1.7659	1.7659	2.4713	2.4713
H4	1.0885	2.0903	1.7659		1.7526	2.9366	2.4052
H5	1.0885	2.0903	1.7659	1.7526		2.4052	2.9366
H6	2.0478	1.0107	2.4713	2.9366	2.4052		1.6196
H7	2.0478	1.0107	2.4713	2.4052	2.9366	1.6196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.458	C1	N2	H7	110.458
N2	C1	H3	115.112	N2	C1	H4	109.179
N2	C1	H5	109.179	H3	C1	H4	107.927
H3	C1	H5	107.927	H4	C1	H5	107.233
H6	N2	H7	106.502

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

using model chemistry: B2PLYP/Def2TZVPP

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	-0.161
2	N	-0.370
3	H	0.080
4	H	0.091
5	H	0.091
6	H	0.134
7	H	0.134

	x	y	z	Total
	-1.283	0.354	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	3.191	0.072	0.000
y	0.072	3.764	0.000
z	0.000	0.000	3.341

<r²>	26.741
(<r²>)^1/2	5.171

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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