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	hartrees
Energy at 0K	-95.730685
Energy at 298.15K
HF Energy	-95.631101
Nuclear repulsion energy	41.964293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3503	3323	1.42	101.71	0.12	0.21
2	A'	3121	2961	40.94	83.64	0.29	0.45
3	A'	3017	2862	91.48	117.14	0.17	0.29
4	A'	1724	1635	23.28	10.56	0.69	0.82
5	A'	1550	1471	7.60	23.23	0.71	0.83
6	A'	1505	1428	2.95	8.32	0.65	0.79
7	A'	1211	1149	9.76	5.43	0.48	0.64
8	A'	1085	1029	7.06	9.05	0.34	0.51
9	A'	896	850	170.49	5.46	0.57	0.73
10	A"	3591	3407	0.22	62.93	0.75	0.86
11	A"	3163	3001	34.08	68.38	0.75	0.86
12	A"	1569	1489	1.90	22.14	0.75	0.86
13	A"	1388	1317	0.07	4.80	0.75	0.86
14	A"	997	946	0.00	0.57	0.75	0.86
15	A"	338	320	45.87	2.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.704	0.000
N2	0.052	-0.760	0.000
H3	-0.942	1.179	0.000
H4	0.593	1.060	0.880
H5	0.593	1.060	-0.880
H6	-0.458	-1.101	-0.811
H7	-0.458	-1.101	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4637	1.1013	1.0928	1.0928	2.0434	2.0434
N2	1.4637		2.1789	2.0928	2.0928	1.0168	1.0168
H3	1.1013	2.1789		1.7728	1.7728	2.4685	2.4685
H4	1.0928	2.0928	1.7728		1.7604	2.9386	2.4040
H5	1.0928	2.0928	1.7728	1.7604		2.4040	2.9386
H6	2.0434	1.0168	2.4685	2.9386	2.4040		1.6223
H7	2.0434	1.0168	2.4685	2.4040	2.9386	1.6223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.613	C1	N2	H7	109.613
N2	C1	H3	115.584	N2	C1	H4	109.026
N2	C1	H5	109.026	H3	C1	H4	107.797
H3	C1	H5	107.797	H4	C1	H5	107.308
H6	N2	H7	105.830

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.315
2	N	-0.734
3	H	0.125
4	H	0.158
5	H	0.158
6	H	0.304
7	H	0.304

	x	y	z	Total
	-1.460	0.379	0.000	1.508
CHELPG
AIM
ESP

	x	y	z
x	2.449	0.154	0.000
y	0.154	3.044	-0.000
z	0.000	-0.000	2.851

<r²>	26.617
(<r²>)^1/2	5.159

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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