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	hartrees
Energy at 0K	-95.896832
Energy at 298.15K
HF Energy	-95.896832
Nuclear repulsion energy	41.932371

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'	3480	3354	0.86	117.69	0.11	0.20
2	A'	3061	2949	39.71	106.97	0.25	0.39
3	A'	2958	2851	105.46	160.87	0.17	0.29
4	A'	1675	1615	24.69	7.71	0.73	0.84
5	A'	1507	1452	7.56	19.77	0.64	0.78
6	A'	1467	1414	3.86	5.14	0.60	0.75
7	A'	1171	1129	8.22	3.59	0.49	0.66
8	A'	1051	1012	9.06	9.54	0.30	0.47
9	A'	840	809	174.01	2.80	0.74	0.85
10	A"	3560	3431	0.01	64.05	0.75	0.86
11	A"	3098	2986	37.67	73.27	0.75	0.86
12	A"	1530	1474	2.97	16.90	0.75	0.86
13	A"	1352	1303	0.02	2.48	0.75	0.86
14	A"	972	937	0.00	0.02	0.75	0.86
15	A"	314	303	40.68	0.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.707	0.000
N2	0.050	-0.759	0.000
H3	-0.945	1.178	0.000
H4	0.591	1.062	0.880
H5	0.591	1.062	-0.880
H6	-0.442	-1.114	-0.814
H7	-0.442	-1.114	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4659	1.1010	1.0924	1.0924	2.0540	2.0540
N2	1.4659		2.1776	2.0941	2.0941	1.0153	1.0153
H3	1.1010	2.1776		1.7744	1.7744	2.4832	2.4832
H4	1.0924	2.0941	1.7744		1.7592	2.9449	2.4098
H5	1.0924	2.0941	1.7744	1.7592		2.4098	2.9449
H6	2.0540	1.0153	2.4832	2.9449	2.4098		1.6288
H7	2.0540	1.0153	2.4832	2.4098	2.9449	1.6288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.429	C1	N2	H7	110.429
N2	C1	H3	115.323	N2	C1	H4	108.999
N2	C1	H5	108.999	H3	C1	H4	107.987
H3	C1	H5	107.987	H4	C1	H5	107.256
H6	N2	H7	106.667

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

using model chemistry: TPSSh/TZVP

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	-0.246
2	N	-0.460
3	H	0.087
4	H	0.113
5	H	0.113
6	H	0.197
7	H	0.197

	x	y	z	Total
	-1.378	0.387	0.000	1.431
CHELPG
AIM
ESP

	x	y	z
x	3.040	0.055	0.000
y	0.055	3.570	0.000
z	0.000	0.000	3.228

<r²>	26.774
(<r²>)^1/2	5.174

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

using model chemistry: TPSSh/TZVP

States and conformations

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