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	hartrees
Energy at 0K	-96.380249
Energy at 298.15K	-96.387389
HF Energy	-96.380249
Nuclear repulsion energy	47.493533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2958	56.62
2	A₁	2943	2833	6.61
3	A₁	1393	1341	59.70
4	A₁	1326	1277	430.35
5	A₁	918	883	53.97
6	A₂	292	281	0.00
7	E	3169	3051	0.20
7	E	3169	3051	0.20
8	E	2851	2744	991.84
8	E	2851	2744	990.84
9	E	1490	1435	42.85
9	E	1490	1435	42.85
10	E	1481	1426	1.77
10	E	1481	1426	1.73
11	E	1234	1188	0.10
11	E	1234	1188	0.10
12	E	883	850	40.30
12	E	883	850	40.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.706
H3	0.000	-1.037	-1.137
H4	-0.898	0.518	-1.137
H5	0.898	0.518	-1.137
H6	0.000	0.979	1.085
H7	-0.848	-0.490	1.085
H8	0.848	-0.490	1.085

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5033	1.0908	1.0908	1.0908	2.1223	2.1223	2.1223
N2	1.5033		2.1141	2.1141	2.1141	1.0502	1.0502	1.0502
H3	1.0908	2.1141		1.7956	1.7956	3.0003	2.4406	2.4406
H4	1.0908	2.1141	1.7956		1.7956	2.4406	2.4406	3.0003
H5	1.0908	2.1141	1.7956	1.7956		2.4406	3.0003	2.4406
H6	2.1223	1.0502	3.0003	2.4406	2.4406		1.6960	1.6960
H7	2.1223	1.0502	2.4406	2.4406	3.0003	1.6960		1.6960
H8	2.1223	1.0502	2.4406	3.0003	2.4406	1.6960	1.6960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.193	C1	N2	H7	111.193
C1	N2	H8	111.193	N2	C1	H3	108.122
N2	C1	H4	108.122	N2	C1	H5	108.122
H3	C1	H4	110.787	H3	C1	H5	110.787
H4	C1	H5	110.787	H6	N2	H7	107.696
H6	N2	H8	107.696	H7	N2	H8	107.696

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)

using model chemistry: B3LYPultrafine/6-31+G**

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	-1.775
2	N	0.320
3	H	0.189
4	H	0.189
5	H	0.189
6	H	0.296
7	H	0.296
8	H	0.296

	x	y	z	Total
	0.000	0.000	-1.271	1.271
CHELPG
AIM
ESP

	x	y	z
x	22.120	0.000	0.000
y	0.000	22.099	-0.005
z	0.000	-0.005	14.732

<r²>	33.944
(<r²>)^1/2	5.826

All results from a given calculation for CH3NH3 (methyl ammonium radical)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)