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	hartrees
Energy at 0K	-95.023818
Energy at 298.15K
HF Energy	-95.023818
Nuclear repulsion energy	33.098510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3486	3075	22.92
2	A₁	3371	2974	0.14
3	A₁	1369	1207	37.65
4	A₁	513	453	29.43
5	A₁	26i	23i	0.03
6	A₂	15	13	0.00
7	E	3755	3312	14.39
7	E	3755	3312	14.39
8	E	3643	3213	0.02
8	E	3643	3213	0.02
9	E	1956	1725	1.45
9	E	1956	1725	1.45
10	E	1568	1383	0.16
10	E	1568	1383	0.16
11	E	33i	29i	73.88
11	E	33i	29i	73.89
12	E	88i	77i	8.96
12	E	88i	77i	8.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.095
N2	0.000	0.000	1.702
H3	0.000	-1.082	-1.963
H4	-0.937	0.541	-1.963
H5	0.937	0.541	-1.963
H6	0.000	0.942	2.182
H7	-0.816	-0.471	2.182
H8	0.816	-0.471	2.182

	C1	N2	H3	H4	H5	H6	H7	H8
C1		3.7978	1.0900	1.0900	1.0900	4.3794	4.3794	4.3794
N2	3.7978		3.8219	3.8219	3.8219	1.0567	1.0567	1.0567
H3	1.0900	3.8219		1.8740	1.8740	4.6124	4.2682	4.2682
H4	1.0900	3.8219	1.8740		1.8740	4.2682	4.2682	4.6124
H5	1.0900	3.8219	1.8740	1.8740		4.2682	4.6124	4.2682
H6	4.3794	1.0567	4.6124	4.2682	4.2682		1.6312	1.6312
H7	4.3794	1.0567	4.2682	4.2682	4.6124	1.6312		1.6312
H8	4.3794	1.0567	4.2682	4.6124	4.2682	1.6312	1.6312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.968	C1	N2	H7	116.968
C1	N2	H8	116.968	N2	C1	H3	83.033
N2	C1	H4	83.033	N2	C1	H5	83.033
H3	C1	H4	118.551	H3	C1	H5	118.551
H4	C1	H5	118.550	H6	N2	H7	101.042
H6	N2	H8	101.042	H7	N2	H8	101.042

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

using model chemistry: PBE1PBE/STO-3G

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	-0.218
2	N	-0.445
3	H	0.073
4	H	0.073
5	H	0.073
6	H	0.149
7	H	0.149
8	H	0.149

	x	y	z	Total
	0.000	0.000	2.197	2.197
CHELPG
AIM
ESP

<r²>	85.745
(<r²>)^1/2	9.260

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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