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	hartrees
Energy at 0K	-95.910595
Energy at 298.15K
HF Energy	-95.910595
Nuclear repulsion energy	42.031886

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'	3502	3393	0.95	129.45	0.08	0.14
2	A'	3055	2960	31.44	112.57	0.24	0.39
3	A'	2966	2874	89.56	170.23	0.13	0.23
4	A'	1661	1609	20.22	2.58	0.69	0.82
5	A'	1500	1453	6.53	5.55	0.66	0.79
6	A'	1461	1416	1.93	0.80	0.40	0.57
7	A'	1168	1132	5.57	0.23	0.13	0.23
8	A'	1055	1022	13.08	8.35	0.14	0.24
9	A'	817	792	145.51	1.61	0.23	0.37
10	A"	3577	3466	2.02	51.72	0.75	0.86
11	A"	3090	2994	28.61	59.13	0.75	0.86
12	A"	1519	1472	4.51	5.79	0.75	0.86
13	A"	1345	1303	0.05	0.34	0.75	0.86
14	A"	973	943	0.06	0.12	0.75	0.86
15	A"	291	282	30.99	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.706	0.000
N2	0.049	-0.757	0.000
H3	-0.945	1.171	0.000
H4	0.586	1.065	0.877
H5	0.586	1.065	-0.877
H6	-0.430	-1.120	-0.813
H7	-0.430	-1.120	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4627	1.0967	1.0896	1.0896	2.0559	2.0559
N2	1.4627		2.1683	2.0922	2.0922	1.0112	1.0112
H3	1.0967	2.1683		1.7678	1.7678	2.4849	2.4849
H4	1.0896	2.0922	1.7678		1.7540	2.9439	2.4115
H5	1.0896	2.0922	1.7678	1.7540		2.4115	2.9439
H6	2.0559	1.0112	2.4849	2.9439	2.4115		1.6257
H7	2.0559	1.0112	2.4849	2.4115	2.9439	1.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.089	C1	N2	H7	111.089
N2	C1	H3	115.060	N2	C1	H4	109.242
N2	C1	H5	109.242	H3	C1	H4	107.908
H3	C1	H5	107.908	H4	C1	H5	107.194
H6	N2	H7	106.993

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.663
2	N	-0.589
3	H	0.248
4	H	0.272
5	H	0.272
6	H	0.230
7	H	0.230

	x	y	z	Total
	-1.232	0.355	0.000	1.282
CHELPG
AIM
ESP

	x	y	z
x	3.762	-0.033	0.000
y	-0.033	4.321	0.000
z	0.000	0.000	3.638

<r²>	26.871
(<r²>)^1/2	5.184

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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