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	hartrees
Energy at 0K	-95.873604
Energy at 298.15K
HF Energy	-95.873604
Nuclear repulsion energy	42.153225

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'	3551	3551	0.39	110.56	0.09	0.16
2	A'	3084	3084	34.20	97.92	0.28	0.43
3	A'	2993	2993	83.03	154.28	0.11	0.19
4	A'	1670	1670	22.84	3.67	0.65	0.79
5	A'	1505	1505	6.79	7.84	0.68	0.81
6	A'	1466	1466	1.08	1.61	0.42	0.60
7	A'	1178	1178	6.31	0.84	0.46	0.63
8	A'	1090	1090	12.53	7.97	0.20	0.33
9	A'	834	834	156.25	0.94	0.67	0.81
10	A"	3631	3631	1.91	50.98	0.75	0.86
11	A"	3122	3122	29.23	60.92	0.75	0.86
12	A"	1523	1523	4.62	7.80	0.75	0.86
13	A"	1352	1352	0.13	0.69	0.75	0.86
14	A"	984	984	0.10	0.03	0.75	0.86
15	A"	297	297	33.81	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.702	0.000
N2	0.049	-0.754	0.000
H3	-0.944	1.166	0.000
H4	0.587	1.062	0.876
H5	0.587	1.062	-0.876
H6	-0.435	-1.111	-0.811
H7	-0.435	-1.111	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4564	1.0965	1.0895	1.0895	2.0439	2.0439
N2	1.4564		2.1622	2.0873	2.0873	1.0090	1.0090
H3	1.0965	2.1622		1.7676	1.7676	2.4701	2.4701
H4	1.0895	2.0873	1.7676		1.7525	2.9345	2.4022
H5	1.0895	2.0873	1.7676	1.7525		2.4022	2.9345
H6	2.0439	1.0090	2.4701	2.9345	2.4022		1.6211
H7	2.0439	1.0090	2.4701	2.4022	2.9345	1.6211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.691	C1	N2	H7	110.691
N2	C1	H3	115.040	N2	C1	H4	109.300
N2	C1	H5	109.300	H3	C1	H4	107.915
H3	C1	H5	107.915	H4	C1	H5	107.073
H6	N2	H7	106.893

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.144
2	N	-0.382
3	H	-0.049
4	H	0.015
5	H	0.015
6	H	0.128
7	H	0.128

	x	y	z	Total
	-1.258	0.325	0.000	1.300
CHELPG
AIM
ESP

	x	y	z
x	3.329	0.050	0.000
y	0.050	3.878	0.000
z	0.000	0.000	3.418

<r²>	26.528
(<r²>)^1/2	5.151

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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