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	hartrees
Energy at 0K	-95.746771
Energy at 298.15K
HF Energy	-95.638607
Nuclear repulsion energy	41.847123

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'	3490	3344	1.57	112.69	0.11	0.20
2	A'	3094	2964	42.45	100.36	0.30	0.47
3	A'	2990	2865	92.64	145.58	0.15	0.27
4	A'	1665	1596	15.13	7.64	0.69	0.82
5	A'	1491	1429	8.05	18.33	0.68	0.81
6	A'	1457	1396	3.81	5.25	0.62	0.77
7	A'	1188	1138	8.11	2.95	0.44	0.61
8	A'	1081	1036	9.56	9.07	0.30	0.46
9	A'	891	854	132.66	3.79	0.65	0.79
10	A"	3568	3419	0.15	68.40	0.75	0.86
11	A"	3136	3005	32.84	78.67	0.75	0.86
12	A"	1512	1449	2.07	17.88	0.75	0.86
13	A"	1363	1306	0.31	1.98	0.75	0.86
14	A"	986	945	0.01	0.33	0.75	0.86
15	A"	335	321	35.97	1.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.054	0.701	0.000
N2	0.054	-0.762	0.000
H3	-0.944	1.186	0.000
H4	0.598	1.066	0.885
H5	0.598	1.066	-0.885
H6	-0.475	-1.094	-0.808
H7	-0.475	-1.094	0.808

	C1	N2	H3	H4	H5	H6	H7
C1		1.4636	1.1092	1.1009	1.1009	2.0389	2.0389
N2	1.4636		2.1889	2.1028	2.1028	1.0213	1.0213
H3	1.1092	2.1889		1.7820	1.7820	2.4644	2.4644
H4	1.1009	2.1028	1.7820		1.7690	2.9469	2.4135
H5	1.1009	2.1028	1.7820	1.7690		2.4135	2.9469
H6	2.0389	1.0213	2.4644	2.9469	2.4135		1.6164
H7	2.0389	1.0213	2.4644	2.4135	2.9469	1.6164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.970	C1	N2	H7	108.970
N2	C1	H3	115.916	N2	C1	H4	109.342
N2	C1	H5	109.342	H3	C1	H4	107.474
H3	C1	H5	107.474	H4	C1	H5	106.918
H6	N2	H7	104.628

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

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	0.002
2	N	-0.225
3	H	0.006
4	H	0.031
5	H	0.031
6	H	0.077
7	H	0.077

	x	y	z	Total
	-1.292	0.286	0.000	1.323
CHELPG
AIM
ESP

	x	y	z
x	2.654	0.163	0.000
y	0.163	3.257	0.000
z	0.000	0.000	2.970

<r²>	26.713
(<r²>)^1/2	5.168

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

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