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	hartrees
Energy at 0K	-95.791024
Energy at 298.15K
HF Energy	-95.791024
Nuclear repulsion energy	41.981856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3594	3442	0.05
2	A'	3083	2953	49.32
3	A'	2951	2826	137.00
4	A'	1717	1645	28.20
5	A'	1541	1476	12.17
6	A'	1504	1440	2.76
7	A'	1171	1122	10.99
8	A'	1117	1070	14.57
9	A'	559	536	345.63
10	A"	3715	3557	1.56
11	A"	3134	3002	38.70
12	A"	1564	1497	3.75
13	A"	1346	1289	0.05
14	A"	984	942	2.56
15	A"	281	269	49.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.033	0.708	0.000
N2	0.033	-0.744	0.000
H3	-0.965	1.187	0.000
H4	0.573	1.075	0.880
H5	0.573	1.075	-0.880
H6	-0.305	-1.188	-0.842
H7	-0.305	-1.188	0.842

	C1	N2	H3	H4	H5	H6	H7
C1		1.4526	1.1065	1.0954	1.0954	2.1019	2.1019
N2	1.4526		2.1739	2.0915	2.0915	1.0095	1.0095
H3	1.1065	2.1739		1.7751	1.7751	2.6048	2.6048
H4	1.0954	2.0915	1.7751		1.7592	2.9754	2.4273
H5	1.0954	2.0915	1.7751	1.7592		2.4273	2.9754
H6	2.1019	1.0095	2.6048	2.9754	2.4273		1.6832
H7	2.1019	1.0095	2.6048	2.4273	2.9754	1.6832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.065	C1	N2	H7	116.065
N2	C1	H3	115.646	N2	C1	H4	109.541
N2	C1	H5	109.541	H3	C1	H4	107.449
H3	C1	H5	107.449	H4	C1	H5	106.841
H6	N2	H7	112.952

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

using model chemistry: B3PW91/6-31G

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	-0.317
2	N	-0.749
3	H	0.131
4	H	0.168
5	H	0.168
6	H	0.300
7	H	0.300

	x	y	z	Total
	-1.224	0.081	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	2.211	0.060	0.000
y	0.060	3.051	0.000
z	0.000	0.000	2.776

<r²>	26.615
(<r²>)^1/2	5.159

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

using model chemistry: B3PW91/6-31G

States and conformations

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