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	hartrees
Energy at 0K	-96.260125
Energy at 298.15K	-96.267157
HF Energy	-96.260125
Nuclear repulsion energy	47.043686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2954	92.46
2	A₁	2671	2641	11.92
3	A₁	1304	1289	86.89
4	A₁	1205	1191	207.72
5	A₁	860	850	33.73
6	A₂	273	270	0.00
7	E	3084	3049	8.93
7	E	3084	3049	8.93
8	E	2313	2286	3242.88
8	E	2313	2286	3242.81
9	E	1428	1412	4.67
9	E	1428	1412	4.67
10	E	1280	1266	0.98
10	E	1280	1266	0.98
11	E	1148	1135	94.24
11	E	1148	1135	94.26
12	E	843	833	61.31
12	E	843	833	61.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
N2	0.000	0.000	0.711
H3	0.000	-1.044	-1.137
H4	-0.904	0.522	-1.137
H5	0.904	0.522	-1.137
H6	0.000	1.005	1.083
H7	-0.871	-0.503	1.083
H8	0.871	-0.503	1.083

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5133	1.0965	1.0965	1.0965	2.1369	2.1369	2.1369
N2	1.5133		2.1228	2.1228	2.1228	1.0722	1.0722	1.0722
H3	1.0965	2.1228		1.8084	1.8084	3.0219	2.4459	2.4459
H4	1.0965	2.1228	1.8084		1.8084	2.4459	2.4459	3.0219
H5	1.0965	2.1228	1.8084	1.8084		2.4459	3.0219	2.4459
H6	2.1369	1.0722	3.0219	2.4459	2.4459		1.7415	1.7415
H7	2.1369	1.0722	2.4459	2.4459	3.0219	1.7415		1.7415
H8	2.1369	1.0722	2.4459	3.0219	2.4459	1.7415	1.7415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.321	C1	N2	H7	110.321
C1	N2	H8	110.321	N2	C1	H3	107.786
N2	C1	H4	107.786	N2	C1	H5	107.786
H3	C1	H4	111.102	H3	C1	H5	111.102
H4	C1	H5	111.102	H6	N2	H7	108.609
H6	N2	H8	108.609	H7	N2	H8	108.609

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.182
2	N	0.278
3	H	0.087
4	H	0.087
5	H	0.087
6	H	-0.119
7	H	-0.119
8	H	-0.119

	x	y	z
x	14.479	0.000	0.000
y	0.000	14.478	-0.000
z	0.000	-0.000	9.020

<r²>	32.839
(<r²>)^1/2	5.731

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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