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	hartrees
Energy at 0K	-94.664582
Energy at 298.15K
HF Energy	-94.664582
Nuclear repulsion energy	40.790850

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'	3447	3447	26.33	23.65	0.00	0.01
2	A'	3418	3418	2.10	62.18	0.37	0.54
3	A'	3267	3267	12.80	40.63	0.05	0.09
4	A'	1864	1864	4.86	11.99	0.70	0.82
5	A'	1681	1681	4.77	17.70	0.75	0.86
6	A'	1585	1585	2.54	4.49	0.74	0.85
7	A'	1304	1304	9.03	4.89	0.74	0.85
8	A'	1105	1105	2.04	10.08	0.37	0.54
9	A'	959	959	51.09	3.20	0.44	0.62
10	A"	3621	3621	22.35	28.69	0.75	0.86
11	A"	3473	3473	0.89	30.48	0.75	0.86
12	A"	1694	1694	1.00	16.84	0.75	0.86
13	A"	1496	1496	1.87	10.46	0.75	0.86
14	A"	1026	1026	0.09	0.47	0.75	0.86
15	A"	351	351	37.03	1.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.066	0.725	0.000
N2	0.066	-0.798	0.000
H3	-0.943	1.189	0.000
H4	0.609	1.075	0.896
H5	0.609	1.075	-0.896
H6	-0.566	-1.051	-0.822
H7	-0.566	-1.051	0.822

	C1	N2	H3	H4	H5	H6	H7
C1		1.5224	1.1108	1.1045	1.1045	2.0556	2.0556
N2	1.5224		2.2283	2.1458	2.1458	1.0670	1.0670
H3	1.1108	2.2283		1.7956	1.7956	2.4153	2.4153
H4	1.1045	2.1458	1.7956		1.7913	2.9746	2.4295
H5	1.1045	2.1458	1.7956	1.7913		2.4295	2.9746
H6	2.0556	1.0670	2.4153	2.9746	2.4295		1.6442
H7	2.0556	1.0670	2.4153	2.4295	2.9746	1.6442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	103.702	C1	N2	H7	103.702
N2	C1	H3	114.708	N2	C1	H4	108.500
N2	C1	H5	108.500	H3	C1	H4	108.299
H3	C1	H5	108.299	H4	C1	H5	108.377
H6	N2	H7	100.797

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

using model chemistry: TPSSh/STO-3G

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	-0.140
2	N	-0.345
3	H	0.056
4	H	0.074
5	H	0.074
6	H	0.141
7	H	0.141

	x	y	z	Total
	-1.556	0.639	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	1.214	0.271	0.000
y	0.271	1.669	0.000
z	0.000	0.000	1.655

<r²>	26.958
(<r²>)^1/2	5.192

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

using model chemistry: TPSSh/STO-3G

States and conformations

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