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	hartrees
Energy at 0K	-95.866167
Energy at 298.15K
HF Energy	-95.866167
Nuclear repulsion energy	41.940347

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'	3493	3371	0.80	98.81	0.11	0.20
2	A'	3060	2953	38.20	84.83	0.26	0.42
3	A'	2962	2859	87.70	114.99	0.17	0.29
4	A'	1667	1608	17.03	7.96	0.68	0.81
5	A'	1498	1446	6.58	17.90	0.70	0.82
6	A'	1461	1410	2.38	5.67	0.63	0.77
7	A'	1181	1140	7.85	2.98	0.53	0.69
8	A'	1064	1027	7.23	8.44	0.31	0.47
9	A'	857	827	145.61	3.73	0.66	0.80
10	A"	3568	3443	0.00	58.65	0.75	0.86
11	A"	3099	2990	31.27	65.40	0.75	0.86
12	A"	1519	1466	2.01	17.78	0.75	0.86
13	A"	1357	1309	0.05	3.00	0.75	0.86
14	A"	979	945	0.02	0.34	0.75	0.86
15	A"	315	304	34.34	1.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.703	0.000
N2	0.052	-0.761	0.000
H3	-0.943	1.180	0.000
H4	0.592	1.065	0.881
H5	0.592	1.065	-0.881
H6	-0.457	-1.103	-0.810
H7	-0.457	-1.103	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4642	1.1029	1.0950	1.0950	2.0440	2.0440
N2	1.4642		2.1811	2.0980	2.0980	1.0154	1.0154
H3	1.1029	2.1811		1.7735	1.7735	2.4712	2.4712
H4	1.0950	2.0980	1.7735		1.7620	2.9427	2.4096
H5	1.0950	2.0980	1.7735	1.7620		2.4096	2.9427
H6	2.0440	1.0154	2.4712	2.9427	2.4096		1.6192
H7	2.0440	1.0154	2.4712	2.4096	2.9427	1.6192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.709	C1	N2	H7	109.709
N2	C1	H3	115.625	N2	C1	H4	109.281
N2	C1	H5	109.281	H3	C1	H4	107.591
H3	C1	H5	107.591	H4	C1	H5	107.139
H6	N2	H7	105.750

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.298
2	N	-0.490
3	H	0.094
4	H	0.122
5	H	0.122
6	H	0.225
7	H	0.225

	x	y	z	Total
	-1.244	0.271	0.000	1.273
CHELPG
AIM
ESP

	x	y	z
x	2.692	0.147	0.000
y	0.147	3.308	0.000
z	0.000	0.000	3.014

<r²>	26.572
(<r²>)^1/2	5.155

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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