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	hartrees
Energy at 0K	-95.324013
Energy at 298.15K
HF Energy	-95.324013
Nuclear repulsion energy	41.591573

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'	3407	3287	3.10	106.90	0.12	0.22
2	A'	3069	2961	37.76	86.57	0.19	0.32
3	A'	2934	2831	117.49	125.73	0.26	0.41
4	A'	1727	1666	14.58	13.54	0.65	0.79
5	A'	1567	1512	12.51	30.46	0.70	0.82
6	A'	1503	1451	1.67	12.58	0.61	0.76
7	A'	1166	1125	6.45	7.99	0.48	0.65
8	A'	1044	1008	3.56	7.45	0.48	0.65
9	A'	694	670	231.46	8.21	0.36	0.53
10	A"	3501	3379	1.56	62.94	0.75	0.86
11	A"	3108	2999	33.17	68.37	0.75	0.86
12	A"	1592	1536	2.08	27.75	0.75	0.86
13	A"	1365	1318	0.69	5.79	0.75	0.86
14	A"	993	958	0.22	1.17	0.75	0.86
15	A"	324	312	54.10	4.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.716	0.000
N2	0.045	-0.763	0.000
H3	-0.948	1.204	0.000
H4	0.589	1.069	0.882
H5	0.589	1.069	-0.882
H6	-0.404	-1.147	-0.836
H7	-0.404	-1.147	0.836

	C1	N2	H3	H4	H5	H6	H7
C1		1.4790	1.1063	1.0951	1.0951	2.0905	2.0905
N2	1.4790		2.2036	2.1051	2.1051	1.0233	1.0233
H3	1.1063	2.2036		1.7775	1.7775	2.5539	2.5539
H4	1.0951	2.1051	1.7775		1.7638	2.9746	2.4291
H5	1.0951	2.1051	1.7775	1.7638		2.4291	2.9746
H6	2.0905	1.0233	2.5539	2.9746	2.4291		1.6713
H7	2.0905	1.0233	2.5539	2.4291	2.9746	1.6713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.037	C1	N2	H7	112.037
N2	C1	H3	116.188	N2	C1	H4	108.819
N2	C1	H5	108.819	H3	C1	H4	107.692
H3	C1	H5	107.692	H4	C1	H5	107.292
H6	N2	H7	109.502

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

using model chemistry: B3LYPultrafine/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	-0.411
2	N	-0.657
3	H	0.151
4	H	0.198
5	H	0.198
6	H	0.261
7	H	0.261

	x	y	z	Total
	-1.400	0.265	0.000	1.425
CHELPG
AIM
ESP

	x	y	z
x	2.103	0.140	0.000
y	0.140	2.913	0.000
z	0.000	0.000	2.687

<r²>	26.886
(<r²>)^1/2	5.185

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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