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	hartrees
Energy at 0K	-95.771564
Energy at 298.15K
HF Energy	-95.645707
Nuclear repulsion energy	42.034227

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'	3533	3533	0.28	93.22	0.11	0.20
2	A'	3109	3109	35.76	78.02	0.32	0.48
3	A'	3015	3015	75.76	110.17	0.14	0.24
4	A'	1684	1684	18.89	7.30	0.69	0.82
5	A'	1523	1523	6.09	16.95	0.71	0.83
6	A'	1479	1479	2.14	4.94	0.63	0.77
7	A'	1197	1197	8.43	2.86	0.54	0.71
8	A'	1080	1080	7.29	8.86	0.29	0.45
9	A'	874	874	145.36	3.42	0.62	0.76
10	A"	3615	3615	0.29	55.01	0.75	0.86
11	A"	3149	3149	27.63	62.09	0.75	0.86
12	A"	1543	1543	2.14	16.87	0.75	0.86
13	A"	1371	1371	0.06	2.92	0.75	0.86
14	A"	989	989	0.01	0.33	0.75	0.86
15	A"	320	320	35.21	1.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.703	0.000
N2	0.052	-0.760	0.000
H3	-0.940	1.175	0.000
H4	0.591	1.062	0.879
H5	0.591	1.062	-0.879
H6	-0.458	-1.099	-0.807
H7	-0.458	-1.099	0.807

	C1	N2	H3	H4	H5	H6	H7
C1		1.4625	1.0987	1.0915	1.0915	2.0387	2.0387
N2	1.4625		2.1741	2.0932	2.0932	1.0130	1.0130
H3	1.0987	2.1741		1.7687	1.7687	2.4604	2.4604
H4	1.0915	2.0932	1.7687		1.7573	2.9343	2.4027
H5	1.0915	2.0932	1.7687	1.7573		2.4027	2.9343
H6	2.0387	1.0130	2.4604	2.9343	2.4027		1.6145
H7	2.0387	1.0130	2.4604	2.4027	2.9343	1.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.549	C1	N2	H7	109.549
N2	C1	H3	115.445	N2	C1	H4	109.221
N2	C1	H5	109.221	H3	C1	H4	107.714
H3	C1	H5	107.714	H4	C1	H5	107.217
H6	N2	H7	105.667

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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	-0.310
2	N	-0.528
3	H	0.103
4	H	0.131
5	H	0.131
6	H	0.237
7	H	0.237

	x	y	z	Total
	-1.276	0.312	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	2.656	0.146	0.000
y	0.146	3.245	-0.000
z	0.000	-0.000	2.968

<r²>	26.505
(<r²>)^1/2	5.148

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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