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	hartrees
Energy at 0K	-95.867471
Energy at 298.15K
HF Energy	-95.867471
Nuclear repulsion energy	42.125740

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'	3549	3549	0.76	121.15	0.07	0.14
2	A'	3086	3086	31.55	100.74	0.28	0.44
3	A'	2997	2997	81.91	162.94	0.09	0.17
4	A'	1668	1668	22.53	2.32	0.72	0.84
5	A'	1506	1506	6.80	5.16	0.68	0.81
6	A'	1465	1465	1.50	0.67	0.44	0.61
7	A'	1175	1175	5.63	0.36	0.09	0.17
8	A'	1087	1087	13.90	8.31	0.13	0.23
9	A'	825	825	145.52	1.42	0.23	0.38
10	A"	3628	3628	2.63	47.16	0.75	0.86
11	A"	3124	3124	27.99	55.85	0.75	0.86
12	A"	1523	1523	5.16	5.46	0.75	0.86
13	A"	1350	1350	0.11	0.33	0.75	0.86
14	A"	981	981	0.06	0.07	0.75	0.86
15	A"	292	292	32.22	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.703	0.000
N2	0.049	-0.754	0.000
H3	-0.946	1.165	0.000
H4	0.587	1.062	0.877
H5	0.587	1.062	-0.877
H6	-0.431	-1.114	-0.812
H7	-0.431	-1.114	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4575	1.0965	1.0897	1.0897	2.0479	2.0479
N2	1.4575		2.1616	2.0877	2.0877	1.0098	1.0098
H3	1.0965	2.1616		1.7686	1.7686	2.4739	2.4739
H4	1.0897	2.0877	1.7686		1.7542	2.9373	2.4039
H5	1.0897	2.0877	1.7686	1.7542		2.4039	2.9373
H6	2.0479	1.0098	2.4739	2.9373	2.4039		1.6242
H7	2.0479	1.0098	2.4739	2.4039	2.9373	1.6242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.896	C1	N2	H7	110.896
N2	C1	H3	114.907	N2	C1	H4	109.241
N2	C1	H5	109.241	H3	C1	H4	107.988
H3	C1	H5	107.988	H4	C1	H5	107.200
H6	N2	H7	107.064

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

using model chemistry: wB97X-D/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	-1.441
2	N	-0.708
3	H	0.591
4	H	0.619
5	H	0.619
6	H	0.159
7	H	0.159

	x	y	z	Total
	-1.264	0.359	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	3.706	-0.030	0.000
y	-0.030	4.200	0.000
z	0.000	0.000	3.591

<r²>	26.635
(<r²>)^1/2	5.161

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

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

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