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	hartrees
Energy at 0K	-95.818491
Energy at 298.15K
HF Energy	-95.818491
Nuclear repulsion energy	41.996679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3347	1.47
2	A'	3090	2956	41.41
3	A'	2978	2849	102.93
4	A'	1705	1632	23.93
5	A'	1525	1459	8.67
6	A'	1482	1417	2.41
7	A'	1191	1140	7.26
8	A'	1090	1043	8.76
9	A'	873	836	179.01
10	A"	3587	3432	0.08
11	A"	3133	2998	34.02
12	A"	1544	1477	2.52
13	A"	1369	1310	0.19
14	A"	988	945	0.05
15	A"	333	319	47.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.701	0.000
N2	0.051	-0.758	0.000
H3	-0.943	1.183	0.000
H4	0.594	1.061	0.881
H5	0.594	1.061	-0.881
H6	-0.455	-1.102	-0.812
H7	-0.455	-1.102	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4583	1.1049	1.0956	1.0956	2.0408	2.0408
N2	1.4583		2.1806	2.0921	2.0921	1.0170	1.0170
H3	1.1049	2.1806		1.7759	1.7759	2.4737	2.4737
H4	1.0956	2.0921	1.7759		1.7615	2.9400	2.4048
H5	1.0956	2.0921	1.7759	1.7615		2.4048	2.9400
H6	2.0408	1.0170	2.4737	2.9400	2.4048		1.6241
H7	2.0408	1.0170	2.4737	2.4048	2.9400	1.6241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.789	C1	N2	H7	109.789
N2	C1	H3	115.900	N2	C1	H4	109.181
N2	C1	H5	109.181	H3	C1	H4	107.609
H3	C1	H5	107.609	H4	C1	H5	107.001
H6	N2	H7	105.969

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	-0.374
2	N	-0.740
3	H	0.140
4	H	0.175
5	H	0.175
6	H	0.312
7	H	0.312

	x	y	z	Total
	-1.451	0.337	0.000	1.490
CHELPG
AIM
ESP	-1.431	0.314	0.000	1.465

	x	y	z
x	2.483	0.139	0.000
y	0.139	3.102	0.000
z	0.000	0.000	2.870

<r²>	26.486
(<r²>)^1/2	5.146

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)