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	hartrees
Energy at 0K	-95.261360
Energy at 298.15K
HF Energy	-95.261360
Nuclear repulsion energy	42.414324

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'	3728	3386	0.30	103.42	0.09	0.17
2	A'	3194	2901	50.04	101.55	0.24	0.39
3	A'	3119	2833	93.80	141.68	0.11	0.20
4	A'	1796	1631	25.63	2.60	0.72	0.84
5	A'	1618	1469	5.74	6.49	0.71	0.83
6	A'	1582	1437	2.55	0.79	0.50	0.67
7	A'	1269	1153	12.75	0.71	0.40	0.57
8	A'	1134	1030	20.70	11.11	0.24	0.38
9	A'	906	823	160.06	0.94	0.57	0.72
10	A"	3803	3455	2.52	51.08	0.75	0.86
11	A"	3225	2930	47.02	64.26	0.75	0.86
12	A"	1635	1485	3.42	6.99	0.75	0.86
13	A"	1457	1324	0.02	0.78	0.75	0.86
14	A"	1041	946	0.00	0.01	0.75	0.86
15	A"	318	289	34.69	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.701	0.000
N2	0.048	-0.751	0.000
H3	-0.942	1.152	0.000
H4	0.579	1.060	0.872
H5	0.579	1.060	-0.872
H6	-0.420	-1.111	-0.803
H7	-0.420	-1.111	0.803

	C1	N2	H3	H4	H5	H6	H7
C1		1.4513	1.0880	1.0821	1.0821	2.0363	2.0363
N2	1.4513		2.1446	2.0784	2.0784	0.9969	0.9969
H3	1.0880	2.1446		1.7555	1.7555	2.4572	2.4572
H4	1.0821	2.0784	1.7555		1.7437	2.9182	2.3906
H5	1.0821	2.0784	1.7555	1.7437		2.3906	2.9182
H6	2.0363	0.9969	2.4572	2.9182	2.3906		1.6061
H7	2.0363	0.9969	2.4572	2.3906	2.9182	1.6061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.198	C1	N2	H7	111.198
N2	C1	H3	114.490	N2	C1	H4	109.383
N2	C1	H5	109.383	H3	C1	H4	107.990
H3	C1	H5	107.990	H4	C1	H5	107.363
H6	N2	H7	107.328

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

using model chemistry: HF/cc-pVQZ

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	-0.027
2	N	-0.418
3	H	0.013
4	H	0.070
5	H	0.070
6	H	0.146
7	H	0.146

	x	y	z	Total
	-1.284	0.348	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	3.098	0.063	0.000
y	0.063	3.620	0.000
z	0.000	0.000	3.219

<r²>	26.361
(<r²>)^1/2	5.134

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

using model chemistry: HF/cc-pVQZ

States and conformations

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