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	hartrees
Energy at 0K	-95.747164
Energy at 298.15K	-95.752749
HF Energy	-95.747164
Nuclear repulsion energy	41.642399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3413	3396	2.24
2	A'	2994	2979	28.54
3	A'	2894	2879	94.94
4	A'	1602	1594	17.98
5	A'	1427	1420	6.96
6	A'	1394	1387	1.78
7	A'	1123	1117	5.43
8	A'	1050	1044	11.28
9	A'	814	810	128.09
10	A"	3497	3479	0.70
11	A"	3037	3022	24.28
12	A"	1448	1440	3.85
13	A"	1293	1287	0.27
14	A"	937	933	0.07
15	A"	297	295	30.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.704	0.000
N2	0.052	-0.762	0.000
H3	-0.952	1.193	0.000
H4	0.602	1.072	0.889
H5	0.602	1.072	-0.889
H6	-0.462	-1.114	-0.817
H7	-0.462	-1.114	0.817

	C1	N2	H3	H4	H5	H6	H7
C1		1.4666	1.1165	1.1088	1.1088	2.0584	2.0584
N2	1.4666		2.1979	2.1118	2.1118	1.0272	1.0272
H3	1.1165	2.1979		1.7948	1.7948	2.4958	2.4958
H4	1.1088	2.1118	1.7948		1.7790	2.9704	2.4323
H5	1.1088	2.1118	1.7948	1.7790		2.4323	2.9704
H6	2.0584	1.0272	2.4958	2.9704	2.4323		1.6344
H7	2.0584	1.0272	2.4958	2.4323	2.9704	1.6344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.011	C1	N2	H7	110.011
N2	C1	H3	115.951	N2	C1	H4	109.384
N2	C1	H5	109.384	H3	C1	H4	107.516
H3	C1	H5	107.516	H4	C1	H5	106.688
H6	N2	H7	105.412

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

using model chemistry: PBEPBE/Sadlej_pVTZ

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	2.730
2	N	0.251
3	H	-0.641
4	H	-0.701
5	H	-0.701
6	H	-0.469
7	H	-0.469

	x	y	z	Total
	-1.244	0.327	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	4.001	-0.045	0.000
y	-0.045	4.612	0.000
z	0.000	0.000	3.839

<r²>	27.252
(<r²>)^1/2	5.220

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

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

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