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	hartrees
Energy at 0K	-95.806513
Energy at 298.15K
HF Energy	-95.675697
Nuclear repulsion energy	42.060655

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'	3517	3374	0.41	110.37	0.10	0.18
2	A'	3088	2962	36.08	96.89	0.27	0.43
3	A'	2999	2877	84.58	147.37	0.12	0.22
4	A'	1673	1605	19.65	5.13	0.68	0.81
5	A'	1513	1452	6.13	10.93	0.66	0.80
6	A'	1469	1409	1.84	2.58	0.50	0.67
7	A'	1185	1137	7.78	1.92	0.40	0.57
8	A'	1066	1022	8.94	9.04	0.25	0.40
9	A'	858	823	150.10	2.10	0.56	0.71
10	A"	3598	3452	0.43	56.57	0.75	0.86
11	A"	3124	2997	30.79	65.15	0.75	0.86
12	A"	1534	1472	3.31	10.26	0.75	0.86
13	A"	1360	1305	0.07	1.26	0.75	0.86
14	A"	982	942	0.02	0.06	0.75	0.86
15	A"	305	292	33.80	0.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.704	0.000
N2	0.051	-0.759	0.000
H3	-0.940	1.172	0.000
H4	0.589	1.063	0.876
H5	0.589	1.063	-0.876
H6	-0.448	-1.106	-0.808
H7	-0.448	-1.106	0.808

	C1	N2	H3	H4	H5	H6	H7
C1		1.4633	1.0955	1.0886	1.0886	2.0441	2.0441
N2	1.4633		2.1701	2.0916	2.0916	1.0113	1.0113
H3	1.0955	2.1701		1.7655	1.7655	2.4661	2.4661
H4	1.0886	2.0916	1.7655		1.7514	2.9349	2.4046
H5	1.0886	2.0916	1.7655	1.7514		2.4046	2.9349
H6	2.0441	1.0113	2.4661	2.9349	2.4046		1.6167
H7	2.0441	1.0113	2.4661	2.4046	2.9349	1.6167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.050	C1	N2	H7	110.050
N2	C1	H3	115.259	N2	C1	H4	109.214
N2	C1	H5	109.214	H3	C1	H4	107.868
H3	C1	H5	107.868	H4	C1	H5	107.112
H6	N2	H7	106.129

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

using model chemistry: B2PLYP/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	-0.208
2	N	-0.350
3	H	0.069
4	H	0.103
5	H	0.103
6	H	0.141
7	H	0.141

	x	y	z	Total
	-1.261	0.336	0.000	1.305
CHELPG
AIM
ESP

	x	y	z
x	3.078	0.103	0.000
y	0.103	3.676	0.000
z	0.000	0.000	3.279

<r²>	26.684
(<r²>)^1/2	5.166

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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