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	hartrees
Energy at 0K	-95.717525
Energy at 298.15K
HF Energy	-95.717525
Nuclear repulsion energy	41.702354

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'	3377	3329	3.66	110.77	0.11	0.20
2	A'	3012	2969	38.39	92.22	0.24	0.39
3	A'	2892	2850	109.81	135.05	0.21	0.35
4	A'	1658	1634	19.83	12.69	0.66	0.80
5	A'	1480	1459	9.12	26.19	0.68	0.81
6	A'	1436	1416	2.71	10.34	0.63	0.77
7	A'	1162	1145	5.57	5.56	0.47	0.64
8	A'	1055	1040	4.99	7.94	0.35	0.52
9	A'	859	846	164.77	6.14	0.67	0.80
10	A"	3465	3416	1.26	65.78	0.75	0.86
11	A"	3057	3013	32.14	71.51	0.75	0.86
12	A"	1500	1479	2.37	24.41	0.75	0.86
13	A"	1334	1315	0.38	4.30	0.75	0.86
14	A"	964	951	0.05	0.60	0.75	0.86
15	A"	335	330	45.37	2.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.703	0.000
N2	0.053	-0.764	0.000
H3	-0.945	1.199	0.000
H4	0.602	1.064	0.887
H5	0.602	1.064	-0.887
H6	-0.474	-1.098	-0.815
H7	-0.474	-1.098	0.815

	C1	N2	H3	H4	H5	H6	H7
C1		1.4677	1.1140	1.1037	1.1037	2.0469	2.0469
N2	1.4677		2.2020	2.1047	2.1047	1.0269	1.0269
H3	1.1140	2.2020		1.7884	1.7884	2.4827	2.4827
H4	1.1037	2.1047	1.7884		1.7741	2.9550	2.4163
H5	1.1037	2.1047	1.7884	1.7741		2.4163	2.9550
H6	2.0469	1.0269	2.4827	2.9550	2.4163		1.6309
H7	2.0469	1.0269	2.4827	2.4163	2.9550	1.6309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.994	C1	N2	H7	108.994
N2	C1	H3	116.395	N2	C1	H4	109.049
N2	C1	H5	109.049	H3	C1	H4	107.493
H3	C1	H5	107.493	H4	C1	H5	106.970
H6	N2	H7	105.141

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

using model chemistry: PBEPBE/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	-0.366
2	N	-0.691
3	H	0.132
4	H	0.166
5	H	0.166
6	H	0.296
7	H	0.296

	x	y	z	Total
	-1.432	0.321	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	2.560	0.142	0.000
y	0.142	3.229	0.000
z	0.000	0.000	2.948

<r²>	26.782
(<r²>)^1/2	5.175

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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