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	hartrees
Energy at 0K	-95.834263
Energy at 298.15K
HF Energy	-95.834263
Nuclear repulsion energy	42.049784

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'	3552	3552	0.32	93.29	0.11	0.20
2	A'	3086	3086	38.96	81.63	0.32	0.48
3	A'	2987	2987	80.84	116.28	0.14	0.24
4	A'	1674	1674	20.97	7.16	0.70	0.82
5	A'	1506	1506	6.70	17.38	0.71	0.83
6	A'	1468	1468	1.42	5.08	0.65	0.79
7	A'	1188	1188	7.70	2.64	0.58	0.73
8	A'	1096	1096	9.57	8.37	0.29	0.45
9	A'	862	862	152.71	3.47	0.63	0.77
10	A"	3634	3634	0.61	55.73	0.75	0.86
11	A"	3128	3128	30.09	65.61	0.75	0.86
12	A"	1525	1525	2.67	17.46	0.75	0.86
13	A"	1361	1361	0.08	2.67	0.75	0.86
14	A"	989	989	0.05	0.30	0.75	0.86
15	A"	315	315	36.37	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.701	0.000
N2	0.051	-0.758	0.000
H3	-0.944	1.173	0.000
H4	0.591	1.063	0.880
H5	0.591	1.063	-0.880
H6	-0.452	-1.101	-0.809
H7	-0.452	-1.101	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4587	1.1017	1.0943	1.0943	2.0383	2.0383
N2	1.4587		2.1722	2.0930	2.0930	1.0130	1.0130
H3	1.1017	2.1722		1.7733	1.7733	2.4630	2.4630
H4	1.0943	2.0930	1.7733		1.7607	2.9368	2.4031
H5	1.0943	2.0930	1.7733	1.7607		2.4031	2.9368
H6	2.0383	1.0130	2.4630	2.9368	2.4031		1.6186
H7	2.0383	1.0130	2.4630	2.4031	2.9368	1.6186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.792	C1	N2	H7	109.792
N2	C1	H3	115.365	N2	C1	H4	109.307
N2	C1	H5	109.307	H3	C1	H4	107.709
H3	C1	H5	107.709	H4	C1	H5	107.130
H6	N2	H7	106.045

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.333
2	N	-0.557
3	H	0.111
4	H	0.141
5	H	0.141
6	H	0.249
7	H	0.249

	x	y	z	Total
	-1.283	0.297	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	2.690	0.137	0.000
y	0.137	3.257	0.000
z	0.000	0.000	2.997

<r²>	26.398
(<r²>)^1/2	5.138

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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