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	hartrees
Energy at 0K	-95.901659
Energy at 298.15K
HF Energy	-95.901659
Nuclear repulsion energy	41.946950

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'	3476	3476	1.82	134.88	0.08	0.14
2	A'	3056	3056	33.60	112.17	0.25	0.40
3	A'	2964	2964	92.88	173.34	0.13	0.22
4	A'	1665	1665	18.30	2.79	0.70	0.83
5	A'	1507	1507	5.86	5.81	0.67	0.80
6	A'	1459	1459	2.86	0.74	0.38	0.55
7	A'	1170	1170	6.61	0.42	0.10	0.18
8	A'	1048	1048	11.30	9.21	0.14	0.24
9	A'	835	835	135.02	1.73	0.25	0.40
10	A"	3551	3551	0.49	54.53	0.75	0.86
11	A"	3093	3093	31.18	60.32	0.75	0.86
12	A"	1526	1526	3.73	5.90	0.75	0.86
13	A"	1348	1348	0.05	0.37	0.75	0.86
14	A"	965	965	0.00	0.12	0.75	0.86
15	A"	297	297	30.88	0.24	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	1.173	0.000
H4	0.590	1.062	0.880
H5	0.590	1.062	-0.880
H6	-0.445	-1.112	-0.812
H7	-0.445	-1.112	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4667	1.0990	1.0916	1.0916	2.0533	2.0533
N2	1.4667		2.1734	2.0936	2.0936	1.0146	1.0146
H3	1.0990	2.1734		1.7732	1.7732	2.4760	2.4760
H4	1.0916	2.0936	1.7732		1.7599	2.9432	2.4092
H5	1.0916	2.0936	1.7732	1.7599		2.4092	2.9432
H6	2.0533	1.0146	2.4760	2.9432	2.4092		1.6242
H7	2.0533	1.0146	2.4760	2.4092	2.9432	1.6242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.359	C1	N2	H7	110.359
N2	C1	H3	115.045	N2	C1	H4	108.963
N2	C1	H5	108.963	H3	C1	H4	108.087
H3	C1	H5	108.087	H4	C1	H5	107.439
H6	N2	H7	106.334

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

using model chemistry: TPSSh/daug-cc-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	-0.245
2	N	-0.551
3	H	0.189
4	H	0.231
5	H	0.231
6	H	0.072
7	H	0.072

	x	y	z	Total
	-1.244	0.368	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	3.773	-0.029	0.000
y	-0.029	4.356	0.000
z	0.000	0.000	3.650

<r²>	26.842
(<r²>)^1/2	5.181

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

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

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