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	hartrees
Energy at 0K	-95.866695
Energy at 298.15K
HF Energy	-95.866695
Nuclear repulsion energy	42.102649

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'	3524	3524	0.15	111.76	0.09	0.17
2	A'	3069	3069	34.01	102.32	0.26	0.41
3	A'	2974	2974	90.08	158.39	0.13	0.23
4	A'	1659	1659	20.73	5.57	0.68	0.81
5	A'	1491	1491	6.79	12.77	0.63	0.77
6	A'	1452	1452	1.56	2.68	0.52	0.68
7	A'	1167	1167	5.76	1.74	0.47	0.64
8	A'	1076	1076	11.71	7.95	0.25	0.40
9	A'	828	828	158.37	1.75	0.72	0.84
10	A"	3604	3604	1.21	55.27	0.75	0.86
11	A"	3107	3107	29.10	65.32	0.75	0.86
12	A"	1512	1512	4.17	11.18	0.75	0.86
13	A"	1344	1344	0.06	1.18	0.75	0.86
14	A"	973	973	0.15	0.02	0.75	0.86
15	A"	298	298	35.09	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.702	0.000
N2	0.049	-0.755	0.000
H3	-0.944	1.172	0.000
H4	0.589	1.063	0.877
H5	0.589	1.063	-0.877
H6	-0.438	-1.112	-0.811
H7	-0.438	-1.112	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4564	1.0990	1.0915	1.0915	2.0458	2.0458
N2	1.4564		2.1679	2.0894	2.0894	1.0115	1.0115
H3	1.0990	2.1679		1.7694	1.7694	2.4764	2.4764
H4	1.0915	2.0894	1.7694		1.7545	2.9389	2.4064
H5	1.0915	2.0894	1.7694	1.7545		2.4064	2.9389
H6	2.0458	1.0115	2.4764	2.9389	2.4064		1.6224
H7	2.0458	1.0115	2.4764	2.4064	2.9389	1.6224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.686	C1	N2	H7	110.686
N2	C1	H3	115.356	N2	C1	H4	109.345
N2	C1	H5	109.345	H3	C1	H4	107.747
H3	C1	H5	107.747	H4	C1	H5	106.973
H6	N2	H7	106.631

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

using model chemistry: B3PW91/Def2TZVPP

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	-0.177
2	N	-0.357
3	H	0.083
4	H	0.091
5	H	0.091
6	H	0.134
7	H	0.134

	x	y	z	Total
	-1.264	0.303	0.000	1.299
CHELPG
AIM
ESP

	x	y	z
x	3.216	0.061	0.000
y	0.061	3.798	0.000
z	0.000	0.000	3.355

<r²>	26.591
(<r²>)^1/2	5.157

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

using model chemistry: B3PW91/Def2TZVPP

States and conformations

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