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	hartrees
Energy at 0K	-95.757659
Energy at 298.15K
HF Energy	-95.654286
Nuclear repulsion energy	42.005296

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'	3525	3525	3.01	103.56	0.13	0.23
2	A'	3096	3096	44.53	93.54	0.29	0.45
3	A'	2994	2994	101.14	136.47	0.18	0.30
4	A'	1741	1741	32.68	6.96	0.75	0.85
5	A'	1534	1534	7.91	16.91	0.68	0.81
6	A'	1491	1491	1.99	5.49	0.68	0.81
7	A'	1201	1201	11.06	3.04	0.45	0.62
8	A'	1075	1075	7.78	9.05	0.31	0.47
9	A'	893	893	176.84	3.00	0.63	0.78
10	A"	3606	3606	0.58	65.00	0.75	0.86
11	A"	3135	3135	40.51	74.36	0.75	0.86
12	A"	1555	1555	3.82	16.55	0.75	0.86
13	A"	1385	1385	0.12	2.88	0.75	0.86
14	A"	995	995	0.00	0.25	0.75	0.86
15	A"	332	332	44.35	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.704	0.000
N2	0.051	-0.760	0.000
H3	-0.943	1.176	0.000
H4	0.591	1.062	0.878
H5	0.591	1.062	-0.878
H6	-0.448	-1.104	-0.811
H7	-0.448	-1.104	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4643	1.0993	1.0911	1.0911	2.0438	2.0438
N2	1.4643		2.1754	2.0936	2.0936	1.0126	1.0126
H3	1.0993	2.1754		1.7707	1.7707	2.4697	2.4697
H4	1.0911	2.0936	1.7707		1.7550	2.9370	2.4037
H5	1.0911	2.0936	1.7707	1.7550		2.4037	2.9370
H6	2.0438	1.0126	2.4697	2.9370	2.4037		1.6230
H7	2.0438	1.0126	2.4697	2.4037	2.9370	1.6230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.864	C1	N2	H7	109.864
N2	C1	H3	115.379	N2	C1	H4	109.158
N2	C1	H5	109.158	H3	C1	H4	107.877
H3	C1	H5	107.877	H4	C1	H5	107.078
H6	N2	H7	106.522

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

using model chemistry: B2PLYP/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	-0.481
2	N	-0.748
3	H	0.182
4	H	0.211
5	H	0.211
6	H	0.312
7	H	0.312

	x	y	z	Total
	-1.444	0.366	0.000	1.490
CHELPG
AIM
ESP

	x	y	z
x	2.673	0.128	0.000
y	0.128	3.225	0.000
z	0.000	0.000	2.990

<r²>	26.722
(<r²>)^1/2	5.169

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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