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	hartrees
Energy at 0K	-96.262520
Energy at 298.15K	-96.269678
HF Energy	-96.262520
Nuclear repulsion energy	47.688614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	2970	74.28
2	A₁	3024	2908	76.82
3	A₁	1383	1330	19.43
4	A₁	1345	1293	824.20
5	A₁	980	943	77.90
6	A₂	288	277	0.00
7	E	3198	3075	0.27
7	E	3198	3075	0.26
8	E	2927	2814	3832.14
8	E	2927	2814	3834.14
9	E	1473	1416	187.55
9	E	1473	1416	187.61
10	E	1453	1397	20.29
10	E	1453	1397	20.26
11	E	1235	1188	0.34
11	E	1235	1188	0.33
12	E	883	849	139.95
12	E	883	849	140.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.792
N2	0.000	0.000	0.700
H3	0.000	-1.040	-1.133
H4	-0.900	0.520	-1.133
H5	0.900	0.520	-1.133
H6	0.000	0.972	1.082
H7	-0.842	-0.486	1.082
H8	0.842	-0.486	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4916	1.0941	1.0941	1.0941	2.1111	2.1111	2.1111
N2	1.4916		2.1070	2.1070	2.1070	1.0448	1.0448	1.0448
H3	1.0941	2.1070		1.8007	1.8007	2.9923	2.4334	2.4334
H4	1.0941	2.1070	1.8007		1.8007	2.4334	2.4334	2.9923
H5	1.0941	2.1070	1.8007	1.8007		2.4334	2.9923	2.4334
H6	2.1111	1.0448	2.9923	2.4334	2.4334		1.6841	1.6841
H7	2.1111	1.0448	2.4334	2.4334	2.9923	1.6841		1.6841
H8	2.1111	1.0448	2.4334	2.9923	2.4334	1.6841	1.6841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.465	C1	N2	H7	111.465
C1	N2	H8	111.465	N2	C1	H3	108.161
N2	C1	H4	108.161	N2	C1	H5	108.161
H3	C1	H4	110.749	H3	C1	H5	110.749
H4	C1	H5	110.749	H6	N2	H7	107.406
H6	N2	H8	107.406	H7	N2	H8	107.406

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

using model chemistry: PBE1PBE/aug-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	1.025
2	N	-0.109
3	H	-0.155
4	H	-0.155
5	H	-0.155
6	H	-0.150
7	H	-0.150
8	H	-0.150

	x	y	z
x	50.005	0.000	0.000
y	0.000	49.983	-0.011
z	0.000	-0.011	28.765

<r²>	35.415
(<r²>)^1/2	5.951

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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