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	hartrees
Energy at 0K	-95.783849
Energy at 298.15K
HF Energy	-95.783849
Nuclear repulsion energy	42.145012

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'	3548	3548	0.57	108.56	0.08	0.15
2	A'	3078	3078	30.74	100.49	0.29	0.45
3	A'	2987	2987	87.33	152.34	0.12	0.21
4	A'	1661	1661	24.05	2.35	0.74	0.85
5	A'	1495	1495	7.12	5.54	0.70	0.83
6	A'	1455	1455	1.40	0.74	0.51	0.68
7	A'	1170	1170	5.48	0.23	0.27	0.42
8	A'	1087	1087	13.82	7.58	0.14	0.24
9	A'	822	822	150.74	1.39	0.54	0.70
10	A"	3627	3627	3.30	48.96	0.75	0.86
11	A"	3116	3116	26.65	58.02	0.75	0.86
12	A"	1515	1515	5.45	6.47	0.75	0.86
13	A"	1344	1344	0.12	0.57	0.75	0.86
14	A"	972	972	0.16	0.15	0.75	0.86
15	A"	297	297	32.87	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.701	0.000
N2	0.049	-0.753	0.000
H3	-0.944	1.169	0.000
H4	0.588	1.063	0.877
H5	0.588	1.063	-0.877
H6	-0.434	-1.114	-0.812
H7	-0.434	-1.114	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4539	1.0982	1.0910	1.0910	2.0461	2.0461
N2	1.4539		2.1636	2.0872	2.0872	1.0110	1.0110
H3	1.0982	2.1636		1.7687	1.7687	2.4766	2.4766
H4	1.0910	2.0872	1.7687		1.7538	2.9384	2.4058
H5	1.0910	2.0872	1.7687	1.7538		2.4058	2.9384
H6	2.0461	1.0110	2.4766	2.9384	2.4058		1.6232
H7	2.0461	1.0110	2.4766	2.4058	2.9384	1.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.942	C1	N2	H7	110.942
N2	C1	H3	115.236	N2	C1	H4	109.371
N2	C1	H5	109.371	H3	C1	H4	107.784
H3	C1	H5	107.784	H4	C1	H5	106.973
H6	N2	H7	106.783

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	0.102
2	N	-0.765
3	H	0.101
4	H	0.109
5	H	0.109
6	H	0.172
7	H	0.172

	x	y	z	Total
	-1.257	0.331	0.000	1.300
CHELPG
AIM
ESP

	x	y	z
x	3.525	-0.036	0.000
y	-0.036	4.061	0.000
z	0.000	0.000	3.439

<r²>	26.656
(<r²>)^1/2	5.163

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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