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	hartrees
Energy at 0K	-95.291210
Energy at 298.15K
HF Energy	-95.291210
Nuclear repulsion energy	41.663138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3442	3302	1.54
2	A'	3076	2951	37.50
3	A'	2941	2821	116.55
4	A'	1727	1657	17.48
5	A'	1562	1498	13.26
6	A'	1498	1437	1.22
7	A'	1166	1119	6.78
8	A'	1059	1016	3.50
9	A'	686	658	248.51
10	A"	3542	3398	0.26
11	A"	3119	2993	31.03
12	A"	1586	1522	2.76
13	A"	1362	1307	0.76
14	A"	993	953	0.58
15	A"	326	313	57.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.713	0.000
N2	0.044	-0.760	0.000
H3	-0.949	1.203	0.000
H4	0.589	1.067	0.882
H5	0.589	1.067	-0.882
H6	-0.398	-1.147	-0.836
H7	-0.398	-1.147	0.836

	C1	N2	H3	H4	H5	H6	H7
C1		1.4737	1.1072	1.0959	1.0959	2.0872	2.0872
N2	1.4737		2.2003	2.1016	2.1016	1.0219	1.0219
H3	1.1072	2.2003		1.7787	1.7787	2.5548	2.5548
H4	1.0959	2.1016	1.7787		1.7636	2.9719	2.4255
H5	1.0959	2.1016	1.7787	1.7636		2.4255	2.9719
H6	2.0872	1.0219	2.5548	2.9719	2.4255		1.6722
H7	2.0872	1.0219	2.5548	2.4255	2.9719	1.6722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.247	C1	N2	H7	112.247
N2	C1	H3	116.260	N2	C1	H4	108.857
N2	C1	H5	108.857	H3	C1	H4	107.676
H3	C1	H5	107.676	H4	C1	H5	107.158
H6	N2	H7	109.813

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

using model chemistry: B3PW91/3-21G*

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	-0.471
2	N	-0.694
3	H	0.170
4	H	0.219
5	H	0.219
6	H	0.278
7	H	0.278

	x	y	z	Total
	-1.417	0.258	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	2.108	0.124	0.000
y	0.124	2.901	0.000
z	0.000	0.000	2.673

<r²>	26.765
(<r²>)^1/2	5.173

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

using model chemistry: B3PW91/3-21G*

States and conformations

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