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	hartrees
Energy at 0K	-95.751603
Energy at 298.15K
HF Energy	-95.642225
Nuclear repulsion energy	42.023809

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'	3538	3538	1.11	103.16	0.11	0.20
2	A'	3122	3122	41.85	82.92	0.30	0.47
3	A'	3020	3020	89.55	118.67	0.15	0.27
4	A'	1695	1695	20.96	10.35	0.69	0.81
5	A'	1539	1539	7.50	22.25	0.71	0.83
6	A'	1495	1495	3.29	7.61	0.66	0.79
7	A'	1202	1202	8.45	5.02	0.48	0.65
8	A'	1084	1084	7.53	8.93	0.33	0.50
9	A'	876	876	166.64	5.34	0.57	0.73
10	A"	3627	3627	0.08	61.35	0.75	0.86
11	A"	3165	3165	34.00	66.71	0.75	0.86
12	A"	1558	1558	1.69	21.20	0.75	0.86
13	A"	1377	1377	0.06	4.35	0.75	0.86
14	A"	991	991	0.00	0.55	0.75	0.86
15	A"	333	333	43.22	2.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.703	0.000
N2	0.051	-0.759	0.000
H3	-0.940	1.178	0.000
H4	0.591	1.061	0.878
H5	0.591	1.061	-0.878
H6	-0.455	-1.101	-0.810
H7	-0.455	-1.101	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4623	1.0991	1.0910	1.0910	2.0410	2.0410
N2	1.4623		2.1764	2.0919	2.0919	1.0142	1.0142
H3	1.0991	2.1764		1.7683	1.7683	2.4667	2.4667
H4	1.0910	2.0919	1.7683		1.7563	2.9353	2.4026
H5	1.0910	2.0919	1.7683	1.7563		2.4026	2.9353
H6	2.0410	1.0142	2.4667	2.9353	2.4026		1.6191
H7	2.0410	1.0142	2.4667	2.4026	2.9353	1.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.675	C1	N2	H7	109.675
N2	C1	H3	115.626	N2	C1	H4	109.160
N2	C1	H5	109.160	H3	C1	H4	107.686
H3	C1	H5	107.686	H4	C1	H5	107.201
H6	N2	H7	105.912

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.178
2	N	-0.616
3	H	0.083
4	H	0.115
5	H	0.115
6	H	0.241
7	H	0.241

	x	y	z	Total
	-1.407	0.358	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	2.496	0.158	0.000
y	0.158	3.104	-0.000
z	0.000	-0.000	2.893

<r²>	26.561
(<r²>)^1/2	5.154

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

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

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