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	hartrees
Energy at 0K	-95.862539
Energy at 298.15K
HF Energy	-95.862539
Nuclear repulsion energy	42.089435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3380	0.35
2	A'	3064	2946	35.93
3	A'	2969	2855	91.36
4	A'	1660	1596	20.15
5	A'	1491	1434	6.70
6	A'	1451	1395	1.43
7	A'	1170	1125	6.39
8	A'	1074	1033	10.72
9	A'	839	807	154.60
10	A"	3594	3456	0.55
11	A"	3101	2982	30.16
12	A"	1512	1454	3.82
13	A"	1346	1294	0.11
14	A"	973	936	0.15
15	A"	301	289	34.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.701	0.000
N2	0.050	-0.756	0.000
H3	-0.942	1.174	0.000
H4	0.590	1.063	0.877
H5	0.590	1.063	-0.877
H6	-0.445	-1.107	-0.810
H7	-0.445	-1.107	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4574	1.0992	1.0916	1.0916	2.0426	2.0426
N2	1.4574		2.1705	2.0906	2.0906	1.0121	1.0121
H3	1.0992	2.1705		1.7691	1.7691	2.4717	2.4717
H4	1.0916	2.0906	1.7691		1.7538	2.9374	2.4057
H5	1.0916	2.0906	1.7691	1.7538		2.4057	2.9374
H6	2.0426	1.0121	2.4717	2.9374	2.4057		1.6198
H7	2.0426	1.0121	2.4717	2.4057	2.9374	1.6198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.310	C1	N2	H7	110.310
N2	C1	H3	115.480	N2	C1	H4	109.360
N2	C1	H5	109.360	H3	C1	H4	107.701
H3	C1	H5	107.701	H4	C1	H5	106.893
H6	N2	H7	106.302

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.160
2	N	-0.320
3	H	0.053
4	H	0.086
5	H	0.086
6	H	0.127
7	H	0.127

	x	y	z	Total
	-1.245	0.289	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	3.105	0.092	0.000
y	0.092	3.714	0.000
z	0.000	0.000	3.296

<r²>	26.545
(<r²>)^1/2	5.152

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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