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	hartrees
Energy at 0K	-95.807070
Energy at 298.15K
HF Energy	-95.807070
Nuclear repulsion energy	41.560332

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'	3361	3336	5.38	114.65	0.11	0.20
2	A'	2992	2969	41.66	93.11	0.22	0.37
3	A'	2877	2854	109.88	130.15	0.21	0.35
4	A'	1632	1620	14.94	13.11	0.66	0.79
5	A'	1474	1463	8.51	25.18	0.69	0.81
6	A'	1434	1423	4.27	9.37	0.63	0.77
7	A'	1155	1146	5.72	5.94	0.45	0.62
8	A'	1020	1012	3.10	8.89	0.39	0.56
9	A'	843	837	151.83	5.88	0.62	0.77
10	A"	3441	3414	3.21	66.73	0.75	0.86
11	A"	3032	3008	37.17	70.44	0.75	0.86
12	A"	1494	1482	1.43	23.45	0.75	0.86
13	A"	1326	1315	0.19	4.83	0.75	0.86
14	A"	959	952	0.00	0.63	0.75	0.86
15	A"	326	323	40.34	2.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.054	0.709	0.000
N2	0.054	-0.770	0.000
H3	-0.944	1.200	0.000
H4	0.600	1.069	0.887
H5	0.600	1.069	-0.887
H6	-0.477	-1.102	-0.815
H7	-0.477	-1.102	0.815

	C1	N2	H3	H4	H5	H6	H7
C1		1.4794	1.1117	1.1020	1.1020	2.0560	2.0560
N2	1.4794		2.2084	2.1137	2.1137	1.0272	1.0272
H3	1.1117	2.2084		1.7854	1.7854	2.4868	2.4868
H4	1.1020	2.1137	1.7854		1.7731	2.9614	2.4251
H5	1.1020	2.1137	1.7854	1.7731		2.4251	2.9614
H6	2.0560	1.0272	2.4868	2.9614	2.4251		1.6292
H7	2.0560	1.0272	2.4868	2.4251	2.9614	1.6292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.882	C1	N2	H7	108.882
N2	C1	H3	116.204	N2	C1	H4	109.063
N2	C1	H5	109.063	H3	C1	H4	107.511
H3	C1	H5	107.511	H4	C1	H5	107.123
H6	N2	H7	104.936

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

using model chemistry: BLYP/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	-0.163
2	N	-0.553
3	H	0.070
4	H	0.102
5	H	0.102
6	H	0.221
7	H	0.221

	x	y	z	Total
	-1.366	0.328	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	2.612	0.166	0.000
y	0.166	3.303	0.000
z	0.000	0.000	3.019

<r²>	26.965
(<r²>)^1/2	5.193

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

using model chemistry: BLYP/6-31G**

States and conformations

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