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	hartrees
Energy at 0K	-95.903490
Energy at 298.15K
HF Energy	-95.903490
Nuclear repulsion energy	42.008642

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'	3502	3502	0.99	130.40	0.08	0.14
2	A'	3056	3056	31.37	113.26	0.24	0.38
3	A'	2968	2968	89.39	170.43	0.13	0.23
4	A'	1661	1661	20.11	2.59	0.69	0.82
5	A'	1498	1498	6.48	5.65	0.66	0.79
6	A'	1458	1458	1.97	0.79	0.40	0.57
7	A'	1166	1166	5.67	0.27	0.12	0.21
8	A'	1052	1052	12.83	8.39	0.14	0.24
9	A'	819	819	144.92	1.74	0.22	0.36
10	A"	3576	3576	1.92	52.00	0.75	0.86
11	A"	3090	3090	28.61	59.38	0.75	0.86
12	A"	1518	1518	4.48	5.80	0.75	0.86
13	A"	1344	1344	0.05	0.33	0.75	0.86
14	A"	972	972	0.06	0.11	0.75	0.86
15	A"	291	291	31.03	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.707	0.000
N2	0.049	-0.757	0.000
H3	-0.945	1.171	0.000
H4	0.587	1.065	0.878
H5	0.587	1.065	-0.878
H6	-0.431	-1.120	-0.813
H7	-0.431	-1.120	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4637	1.0972	1.0901	1.0901	2.0567	2.0567
N2	1.4637		2.1695	2.0931	2.0931	1.0119	1.0119
H3	1.0972	2.1695		1.7688	1.7688	2.4853	2.4853
H4	1.0901	2.0931	1.7688		1.7550	2.9450	2.4122
H5	1.0901	2.0931	1.7688	1.7550		2.4122	2.9450
H6	2.0567	1.0119	2.4853	2.9450	2.4122		1.6263
H7	2.0567	1.0119	2.4853	2.4122	2.9450	1.6263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.042	C1	N2	H7	111.042
N2	C1	H3	115.055	N2	C1	H4	109.214
N2	C1	H5	109.214	H3	C1	H4	107.931
H3	C1	H5	107.931	H4	C1	H5	107.213
H6	N2	H7	106.957

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

using model chemistry: B3LYP/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	-0.930
2	N	-0.553
3	H	0.397
4	H	0.440
5	H	0.440
6	H	0.102
7	H	0.102

	x	y	z	Total
	-1.234	0.357	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	3.776	-0.034	0.000
y	-0.034	4.334	0.000
z	0.000	0.000	3.647

<r²>	26.895
(<r²>)^1/2	5.186

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

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

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