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	hartrees
Energy at 0K	-96.349690
Energy at 298.15K	-96.356835
HF Energy	-96.349690
Nuclear repulsion energy	47.586644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2968	72.89
2	A₁	2987	2881	91.77
3	A₁	1378	1329	23.76
4	A₁	1332	1285	805.49
5	A₁	957	923	76.49
6	A₂	285	275	0.00
7	E	3184	3072	0.02
7	E	3184	3072	0.02
8	E	2876	2774	3649.23
8	E	2876	2774	3651.09
9	E	1462	1410	115.92
9	E	1462	1410	115.97
10	E	1448	1396	61.89
10	E	1448	1396	61.83
11	E	1227	1184	0.82
11	E	1227	1184	0.81
12	E	880	849	123.07
12	E	880	849	122.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.794
N2	0.000	0.000	0.702
H3	0.000	-1.040	-1.135
H4	-0.901	0.520	-1.135
H5	0.901	0.520	-1.135
H6	0.000	0.974	1.085
H7	-0.844	-0.487	1.085
H8	0.844	-0.487	1.085

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4966	1.0943	1.0943	1.0943	2.1173	2.1173	2.1173
N2	1.4966		2.1108	2.1108	2.1108	1.0469	1.0469	1.0469
H3	1.0943	2.1108		1.8016	1.8016	2.9976	2.4384	2.4384
H4	1.0943	2.1108	1.8016		1.8016	2.4384	2.4384	2.9976
H5	1.0943	2.1108	1.8016	1.8016		2.4384	2.9976	2.4384
H6	2.1173	1.0469	2.9976	2.4384	2.4384		1.6875	1.6875
H7	2.1173	1.0469	2.4384	2.4384	2.9976	1.6875		1.6875
H8	2.1173	1.0469	2.4384	2.9976	2.4384	1.6875	1.6875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.470	C1	N2	H7	111.470
C1	N2	H8	111.470	N2	C1	H3	108.106
N2	C1	H4	108.106	N2	C1	H5	108.106
H3	C1	H4	110.801	H3	C1	H5	110.801
H4	C1	H5	110.801	H6	N2	H7	107.401
H6	N2	H8	107.401	H7	N2	H8	107.401

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

using model chemistry: B3PW91/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	1.027
2	N	-0.107
3	H	-0.160
4	H	-0.160
5	H	-0.160
6	H	-0.146
7	H	-0.146
8	H	-0.146

	x	y	z
x	48.004	0.000	0.000
y	0.000	47.979	-0.016
z	0.000	-0.016	27.608

<r²>	35.356
(<r²>)^1/2	5.946

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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