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	hartrees
Energy at 0K	-95.221864
Energy at 298.15K
HF Energy	-95.221864
Nuclear repulsion energy	42.353611

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'	3745	3380	0.65	100.44	0.12	0.21
2	A'	3222	2908	59.54	89.90	0.30	0.46
3	A'	3134	2829	98.80	118.38	0.16	0.27
4	A'	1809	1632	28.70	7.61	0.73	0.84
5	A'	1631	1472	6.71	19.81	0.73	0.84
6	A'	1594	1439	3.37	5.69	0.71	0.83
7	A'	1277	1153	16.24	4.07	0.47	0.64
8	A'	1148	1036	18.94	11.48	0.33	0.50
9	A'	920	830	186.94	4.75	0.50	0.67
10	A"	3831	3458	0.43	64.58	0.75	0.86
11	A"	3259	2941	51.44	75.81	0.75	0.86
12	A"	1648	1488	1.35	20.13	0.75	0.86
13	A"	1466	1323	0.07	3.67	0.75	0.86
14	A"	1045	943	0.02	0.48	0.75	0.86
15	A"	337	304	45.51	2.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.700	0.000
N2	0.049	-0.752	0.000
H3	-0.942	1.158	0.000
H4	0.581	1.059	0.874
H5	0.581	1.059	-0.874
H6	-0.426	-1.108	-0.805
H7	-0.426	-1.108	0.805

	C1	N2	H3	H4	H5	H6	H7
C1		1.4517	1.0915	1.0845	1.0845	2.0353	2.0353
N2	1.4517		2.1517	2.0799	2.0799	1.0001	1.0001
H3	1.0915	2.1517		1.7589	1.7589	2.4600	2.4600
H4	1.0845	2.0799	1.7589		1.7475	2.9205	2.3908
H5	1.0845	2.0799	1.7589	1.7475		2.3908	2.9205
H6	2.0353	1.0001	2.4600	2.9205	2.3908		1.6100
H7	2.0353	1.0001	2.4600	2.3908	2.9205	1.6100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.879	C1	N2	H7	110.879
N2	C1	H3	114.831	N2	C1	H4	109.334
N2	C1	H5	109.334	H3	C1	H4	107.864
H3	C1	H5	107.864	H4	C1	H5	107.352
H6	N2	H7	107.207

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	-0.147
2	N	-0.701
3	H	0.086
4	H	0.118
5	H	0.118
6	H	0.263
7	H	0.263

	x	y	z	Total
	-1.425	0.377	0.000	1.474
CHELPG
AIM
ESP

	x	y	z
x	2.420	0.154	0.000
y	0.154	2.957	0.000
z	0.000	0.000	2.814

<r²>	26.322
(<r²>)^1/2	5.131

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)