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	hartrees
Energy at 0K	-95.745232
Energy at 298.15K
HF Energy	-95.638592
Nuclear repulsion energy	41.836535

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'	3488	3341	1.60	112.82	0.11	0.20
2	A'	3092	2961	42.51	100.53	0.30	0.46
3	A'	2988	2862	92.74	145.62	0.15	0.27
4	A'	1665	1594	15.09	7.65	0.69	0.82
5	A'	1491	1428	8.03	18.35	0.68	0.81
6	A'	1457	1395	3.83	5.25	0.62	0.77
7	A'	1187	1137	8.16	2.96	0.44	0.61
8	A'	1080	1035	9.53	9.09	0.30	0.46
9	A'	891	853	132.40	3.79	0.65	0.79
10	A"	3566	3416	0.16	68.49	0.75	0.86
11	A"	3134	3002	32.95	78.77	0.75	0.86
12	A"	1511	1447	2.05	17.91	0.75	0.86
13	A"	1363	1305	0.31	1.99	0.75	0.86
14	A"	985	944	0.01	0.33	0.75	0.86
15	A"	335	321	35.94	1.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.054	0.701	0.000
N2	0.054	-0.763	0.000
H3	-0.944	1.186	0.000
H4	0.599	1.066	0.885
H5	0.599	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		1.4640	1.1095	1.1012	1.1012	2.0392	2.0392
N2	1.4640		2.1895	2.1033	2.1033	1.0215	1.0215
H3	1.1095	2.1895		1.7826	1.7826	2.4647	2.4647
H4	1.1012	2.1033	1.7826		1.7696	2.9475	2.4139
H5	1.1012	2.1033	1.7826	1.7696		2.4139	2.9475
H6	2.0392	1.0215	2.4647	2.9475	2.4139		1.6167
H7	2.0392	1.0215	2.4647	2.4139	2.9475	1.6167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.955	C1	N2	H7	108.955
N2	C1	H3	115.913	N2	C1	H4	109.336
N2	C1	H5	109.336	H3	C1	H4	107.477
H3	C1	H5	107.477	H4	C1	H5	106.925
H6	N2	H7	104.615

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

using model chemistry: B2PLYP/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	0.287	0.000	1.324
CHELPG
AIM
ESP

	x	y	z
x	2.656	0.163	0.000
y	0.163	3.259	0.000
z	0.000	0.000	2.972

<r²>	26.722
(<r²>)^1/2	5.169

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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