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	hartrees
Energy at 0K	-95.842550
Energy at 298.15K
HF Energy	-95.842550
Nuclear repulsion energy	41.855441

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'	3431	3431	2.83	141.39	0.08	0.14
2	A'	3006	3006	35.78	119.89	0.25	0.40
3	A'	2907	2907	104.24	186.55	0.14	0.25
4	A'	1634	1634	17.49	2.88	0.68	0.81
5	A'	1467	1467	6.43	6.11	0.65	0.78
6	A'	1426	1426	2.61	0.93	0.40	0.57
7	A'	1146	1146	5.28	0.55	0.11	0.19
8	A'	1024	1024	10.51	8.46	0.11	0.20
9	A'	816	816	135.21	2.40	0.21	0.34
10	A"	3510	3510	0.36	55.40	0.75	0.86
11	A"	3044	3044	33.06	62.37	0.75	0.86
12	A"	1488	1488	3.87	6.03	0.75	0.86
13	A"	1322	1322	0.09	0.28	0.75	0.86
14	A"	958	958	0.04	0.19	0.75	0.86
15	A"	291	291	30.27	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.708	0.000
N2	0.051	-0.762	0.000
H3	-0.947	1.178	0.000
H4	0.592	1.067	0.882
H5	0.592	1.067	-0.882
H6	-0.447	-1.114	-0.813
H7	-0.447	-1.114	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4694	1.1029	1.0949	1.0949	2.0559	2.0559
N2	1.4694		2.1813	2.1004	2.1004	1.0159	1.0159
H3	1.1029	2.1813		1.7769	1.7769	2.4828	2.4828
H4	1.0949	2.1004	1.7769		1.7632	2.9502	2.4162
H5	1.0949	2.1004	1.7769	1.7632		2.4162	2.9502
H6	2.0559	1.0159	2.4828	2.9502	2.4162		1.6252
H7	2.0559	1.0159	2.4828	2.4162	2.9502	1.6252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.293	C1	N2	H7	110.293
N2	C1	H3	115.247	N2	C1	H4	109.122
N2	C1	H5	109.122	H3	C1	H4	107.900
H3	C1	H5	107.900	H4	C1	H5	107.261
H6	N2	H7	106.240

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

using model chemistry: B97D3/daug-cc-pVTZ

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	-0.621
2	N	-0.527
3	H	0.309
4	H	0.332
5	H	0.332
6	H	0.088
7	H	0.088

	x	y	z	Total
	-1.225	0.351	0.000	1.275
CHELPG
AIM
ESP

	x	y	z
x	3.931	-0.055	0.000
y	-0.055	4.509	0.000
z	0.000	0.000	3.750

<r²>	26.985
(<r²>)^1/2	5.195

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

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

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