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	hartrees
Energy at 0K	-95.170903
Energy at 298.15K
HF Energy	-95.170903
Nuclear repulsion energy	42.311698

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'	3806	3436	0.91	99.41	0.14	0.25
2	A'	3232	2918	58.10	94.82	0.26	0.42
3	A'	3135	2830	107.54	133.37	0.17	0.30
4	A'	1849	1670	32.74	6.77	0.73	0.85
5	A'	1662	1501	9.36	24.48	0.73	0.84
6	A'	1624	1466	1.88	9.88	0.69	0.82
7	A'	1264	1141	9.06	7.26	0.59	0.74
8	A'	1159	1046	22.75	11.14	0.37	0.54
9	A'	637	575	377.98	6.09	0.29	0.44
10	A"	3924	3543	5.46	58.52	0.75	0.86
11	A"	3273	2956	48.32	79.49	0.75	0.86
12	A"	1682	1519	2.48	24.38	0.75	0.86
13	A"	1453	1312	0.60	4.33	0.75	0.86
14	A"	1046	944	2.05	0.80	0.75	0.86
15	A"	277	250	46.88	4.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.709	0.000
N2	0.031	-0.741	0.000
H3	-0.960	1.162	0.000
H4	0.562	1.070	0.872
H5	0.562	1.070	-0.872
H6	-0.286	-1.186	-0.830
H7	-0.286	-1.186	0.830

	C1	N2	H3	H4	H5	H6	H7
C1		1.4506	1.0899	1.0823	1.0823	2.0933	2.0933
N2	1.4506		2.1460	2.0791	2.0791	0.9939	0.9939
H3	1.0899	2.1460		1.7562	1.7562	2.5800	2.5800
H4	1.0823	2.0791	1.7562		1.7434	2.9505	2.4104
H5	1.0823	2.0791	1.7562	1.7434		2.4104	2.9505
H6	2.0933	0.9939	2.5800	2.9505	2.4104		1.6608
H7	2.0933	0.9939	2.5800	2.4104	2.9505	1.6608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.570	C1	N2	H7	116.570
N2	C1	H3	114.540	N2	C1	H4	109.478
N2	C1	H5	109.478	H3	C1	H4	107.896
H3	C1	H5	107.896	H4	C1	H5	107.298
H6	N2	H7	113.334

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

using model chemistry: HF/6-31G

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	-0.229
2	N	-0.861
3	H	0.126
4	H	0.160
5	H	0.160
6	H	0.322
7	H	0.322

	x	y	z	Total
	-1.231	0.211	0.000	1.249
CHELPG	1.186	-0.178	0.000	1.199
AIM
ESP

	x	y	z
x	2.113	0.096	0.000
y	0.096	2.825	0.000
z	0.000	0.000	2.683

<r²>	26.498
(<r²>)^1/2	5.148

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

using model chemistry: HF/6-31G

States and conformations

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