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	hartrees
Energy at 0K	-95.846172
Energy at 298.15K
HF Energy	-95.846172
Nuclear repulsion energy	41.655899

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'	3374	3364	2.95	124.11	0.10	0.18
2	A'	2978	2969	37.29	113.81	0.20	0.33
3	A'	2877	2868	103.33	161.56	0.19	0.32
4	A'	1624	1619	16.41	6.38	0.64	0.78
5	A'	1460	1455	6.36	13.66	0.62	0.77
6	A'	1420	1415	2.27	3.93	0.45	0.62
7	A'	1143	1140	6.52	2.85	0.35	0.52
8	A'	1004	1001	5.07	8.39	0.29	0.46
9	A'	827	824	145.84	2.55	0.62	0.77
10	A"	3446	3435	0.30	64.83	0.75	0.86
11	A"	3011	3002	34.64	71.47	0.75	0.86
12	A"	1482	1477	2.88	11.72	0.75	0.86
13	A"	1317	1313	0.08	1.45	0.75	0.86
14	A"	953	950	0.06	0.09	0.75	0.86
15	A"	298	297	32.24	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.712	0.000
N2	0.052	-0.768	0.000
H3	-0.945	1.189	0.000
H4	0.596	1.070	0.883
H5	0.596	1.070	-0.883
H6	-0.460	-1.112	-0.814
H7	-0.460	-1.112	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4792	1.1053	1.0969	1.0969	2.0619	2.0619
N2	1.4792		2.1962	2.1099	2.1099	1.0215	1.0215
H3	1.1053	2.1962		1.7794	1.7794	2.4894	2.4894
H4	1.0969	2.1099	1.7794		1.7651	2.9591	2.4251
H5	1.0969	2.1099	1.7794	1.7651		2.4251	2.9591
H6	2.0619	1.0215	2.4894	2.9591	2.4251		1.6287
H7	2.0619	1.0215	2.4894	2.4251	2.9591	1.6287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.725	C1	N2	H7	109.725
N2	C1	H3	115.620	N2	C1	H4	109.076
N2	C1	H5	109.076	H3	C1	H4	107.805
H3	C1	H5	107.805	H4	C1	H5	107.136
H6	N2	H7	105.723

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

using model chemistry: BLYP/cc-pVTZ

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	-0.174
2	N	-0.314
3	H	0.056
4	H	0.090
5	H	0.090
6	H	0.126
7	H	0.126

	x	y	z	Total
	-1.225	0.305	0.000	1.263
CHELPG
AIM
ESP

	x	y	z
x	3.235	0.106	0.000
y	0.106	3.905	0.000
z	0.000	0.000	3.441

<r²>	27.135
(<r²>)^1/2	5.209

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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