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	hartrees
Energy at 0K	-95.841371
Energy at 298.15K
HF Energy	-95.841371
Nuclear repulsion energy	42.045082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3381	3.00
2	A'	3070	2955	44.69
3	A'	2961	2850	110.21
4	A'	1723	1659	32.84
5	A'	1512	1456	8.85
6	A'	1469	1414	2.08
7	A'	1183	1139	8.12
8	A'	1081	1041	9.79
9	A'	868	836	183.36
10	A"	3590	3456	0.49
11	A"	3109	2993	40.17
12	A"	1533	1476	4.39
13	A"	1368	1317	0.26
14	A"	988	951	0.07
15	A"	329	317	45.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.701	0.000
N2	0.050	-0.757	0.000
H3	-0.943	1.178	0.000
H4	0.593	1.063	0.878
H5	0.593	1.063	-0.878
H6	-0.447	-1.105	-0.812
H7	-0.447	-1.105	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4581	1.1024	1.0935	1.0935	2.0415	2.0415
N2	1.4581		2.1756	2.0919	2.0919	1.0138	1.0138
H3	1.1024	2.1756		1.7731	1.7731	2.4735	2.4735
H4	1.0935	2.0919	1.7731		1.7556	2.9385	2.4051
H5	1.0935	2.0919	1.7731	1.7556		2.4051	2.9385
H6	2.0415	1.0138	2.4735	2.9385	2.4051		1.6238
H7	2.0415	1.0138	2.4735	2.4051	2.9385	1.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.062	C1	N2	H7	110.062
N2	C1	H3	115.664	N2	C1	H4	109.310
N2	C1	H5	109.310	H3	C1	H4	107.702
H3	C1	H5	107.702	H4	C1	H5	106.786
H6	N2	H7	106.421

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

using model chemistry: B3PW91/6-311G*

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	-0.510
2	N	-0.758
3	H	0.190
4	H	0.221
5	H	0.221
6	H	0.318
7	H	0.318

	x	y	z	Total
	-1.442	0.334	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	2.690	0.115	0.000
y	0.115	3.260	0.000
z	0.000	0.000	2.995

<r²>	26.572
(<r²>)^1/2	5.155

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

using model chemistry: B3PW91/6-311G*

States and conformations

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