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	hartrees
Energy at 0K	-95.888440
Energy at 298.15K
HF Energy	-95.888440
Nuclear repulsion energy	41.928749

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'	3490	3374	1.50	108.45	0.12	0.21
2	A'	3051	2949	41.59	102.82	0.23	0.38
3	A'	2946	2848	103.97	147.21	0.19	0.32
4	A'	1669	1613	22.87	6.92	0.72	0.84
5	A'	1497	1447	7.48	16.54	0.67	0.80
6	A'	1462	1413	2.31	4.85	0.64	0.78
7	A'	1171	1132	7.04	2.69	0.43	0.60
8	A'	1057	1022	8.31	8.21	0.32	0.48
9	A'	850	822	164.88	3.14	0.67	0.80
10	A"	3565	3446	0.10	65.79	0.75	0.86
11	A"	3086	2983	38.58	75.91	0.75	0.86
12	A"	1519	1469	3.42	15.38	0.75	0.86
13	A"	1352	1307	0.20	2.16	0.75	0.86
14	A"	980	947	0.02	0.22	0.75	0.86
15	A"	315	305	38.88	1.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.705	0.000
N2	0.050	-0.761	0.000
H3	-0.943	1.181	0.000
H4	0.592	1.066	0.878
H5	0.592	1.066	-0.878
H6	-0.448	-1.110	-0.812
H7	-0.448	-1.110	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4657	1.1019	1.0933	1.0933	2.0498	2.0498
N2	1.4657		2.1811	2.0980	2.0980	1.0150	1.0150
H3	1.1019	2.1811		1.7727	1.7727	2.4801	2.4801
H4	1.0933	2.0980	1.7727		1.7568	2.9451	2.4125
H5	1.0933	2.0980	1.7727	1.7568		2.4125	2.9451
H6	2.0498	1.0150	2.4801	2.9451	2.4125		1.6243
H7	2.0498	1.0150	2.4801	2.4125	2.9451	1.6243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.111	C1	N2	H7	110.111
N2	C1	H3	115.578	N2	C1	H4	109.276
N2	C1	H5	109.276	H3	C1	H4	107.719
H3	C1	H5	107.719	H4	C1	H5	106.928
H6	N2	H7	106.293

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

using model chemistry: B3LYP/6-311G**

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	-0.205
2	N	-0.471
3	H	0.084
4	H	0.109
5	H	0.109
6	H	0.187
7	H	0.187

	x	y	z	Total
	-1.334	0.329	0.000	1.374
CHELPG
AIM
ESP

	x	y	z
x	2.798	0.130	0.000
y	0.130	3.403	0.000
z	0.000	0.000	3.104

<r²>	26.745
(<r²>)^1/2	5.172

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

using model chemistry: B3LYP/6-311G**

States and conformations

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