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	hartrees
Energy at 0K	-18.063103
Energy at 298.15K
HF Energy	-18.063103
Nuclear repulsion energy	26.548281

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'	3744	3362	1.05	97.76	0.13	0.23
2	A'	3260	2928	84.78	99.00	0.28	0.44
3	A'	3176	2852	127.69	137.18	0.12	0.22
4	A'	1828	1642	31.56	9.51	0.74	0.85
5	A'	1626	1460	7.37	19.28	0.75	0.86
6	A'	1584	1422	6.43	4.86	0.58	0.73
7	A'	1274	1144	20.27	5.60	0.45	0.62
8	A'	1137	1021	31.01	17.39	0.32	0.49
9	A'	945	848	168.84	4.47	0.54	0.70
10	A"	3833	3442	0.01	62.69	0.75	0.86
11	A"	3296	2960	78.32	76.96	0.75	0.86
12	A"	1642	1475	1.61	20.79	0.75	0.86
13	A"	1460	1311	0.00	6.50	0.75	0.86
14	A"	1033	928	0.53	0.26	0.75	0.86
15	A"	334	300	50.85	1.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.708	0.000
N2	0.050	-0.760	0.000
H3	-0.949	1.162	0.000
H4	0.587	1.065	0.880
H5	0.587	1.065	-0.880
H6	-0.440	-1.107	-0.807
H7	-0.440	-1.107	0.807

	C1	N2	H3	H4	H5	H6	H7
C1		1.4680	1.0977	1.0910	1.0910	2.0456	2.0456
N2	1.4680		2.1665	2.0962	2.0962	1.0063	1.0063
H3	1.0977	2.1665		1.7728	1.7728	2.4612	2.4612
H4	1.0910	2.0962	1.7728		1.7607	2.9358	2.4033
H5	1.0910	2.0962	1.7728	1.7607		2.4033	2.9358
H6	2.0456	1.0063	2.4612	2.9358	2.4033		1.6148
H7	2.0456	1.0063	2.4612	2.4033	2.9358	1.6148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.136	C1	N2	H7	110.136
N2	C1	H3	114.445	N2	C1	H4	109.115
N2	C1	H5	109.115	H3	C1	H4	108.180
H3	C1	H5	108.180	H4	C1	H5	107.591
H6	N2	H7	106.707

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

using model chemistry: HF/CEP-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	-0.331
2	N	-0.607
3	H	0.108
4	H	0.137
5	H	0.137
6	H	0.279
7	H	0.279

	x	y	z	Total
	-1.594	0.490	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	2.258	0.106	0.000
y	0.106	2.874	0.000
z	0.000	0.000	2.712

<r²>	24.438
(<r²>)^1/2	4.943

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

using model chemistry: HF/CEP-31G*

States and conformations

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