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	hartrees
Energy at 0K	-94.032863
Energy at 298.15K
HF Energy	-94.032863
Nuclear repulsion energy	41.647133

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'	3900	3185	4.91	50.72	0.12	0.21
2	A'	3709	3028	6.88	30.58	0.68	0.81
3	A'	3539	2890	7.48	38.63	0.04	0.07
4	A'	2023	1652	6.16	11.16	0.73	0.84
5	A'	1822	1488	4.70	17.96	0.75	0.86
6	A'	1749	1428	3.67	3.31	0.73	0.84
7	A'	1387	1133	21.84	2.74	0.67	0.80
8	A'	1261	1029	1.41	11.28	0.34	0.51
9	A'	1056	862	77.62	3.99	0.61	0.76
10	A"	4085	3336	4.92	31.34	0.75	0.86
11	A"	3743	3056	0.75	29.55	0.75	0.86
12	A"	1835	1498	0.55	16.97	0.75	0.86
13	A"	1611	1316	0.85	9.80	0.75	0.86
14	A"	1118	913	0.39	0.52	0.75	0.86
15	A"	356	291	40.29	2.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.058	0.713	0.000
N2	0.058	-0.773	0.000
H3	-0.942	1.153	0.000
H4	0.588	1.070	0.882
H5	0.588	1.070	-0.882
H6	-0.495	-1.080	-0.817
H7	-0.495	-1.080	0.817

	C1	N2	H3	H4	H5	H6	H7
C1		1.4855	1.0932	1.0888	1.0888	2.0467	2.0467
N2	1.4855		2.1700	2.1099	2.1099	1.0334	1.0334
H3	1.0932	2.1700		1.7682	1.7682	2.4196	2.4196
H4	1.0888	2.1099	1.7682		1.7642	2.9462	2.4081
H5	1.0888	2.1099	1.7682	1.7642		2.4081	2.9462
H6	2.0467	1.0334	2.4196	2.9462	2.4081		1.6331
H7	2.0467	1.0334	2.4196	2.4081	2.9462	1.6331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.328	C1	N2	H7	107.328
N2	C1	H3	113.736	N2	C1	H4	109.121
N2	C1	H5	109.121	H3	C1	H4	108.255
H3	C1	H5	108.255	H4	C1	H5	108.214
H6	N2	H7	104.401

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

using model chemistry: HF/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	-0.098
2	N	-0.376
3	H	0.048
4	H	0.067
5	H	0.067
6	H	0.146
7	H	0.146

	x	y	z	Total
	-1.516	0.562	0.000	1.616
CHELPG
AIM
ESP

	x	y	z
x	1.103	0.262	0.000
y	0.262	1.546	0.000
z	0.000	0.000	1.590

<r²>	26.325
(<r²>)^1/2	5.131

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

using model chemistry: HF/STO-3G

States and conformations

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