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	hartrees
Energy at 0K	-95.749520
Energy at 298.15K	-95.756794
HF Energy	-95.749520
Nuclear repulsion energy	48.276401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3109	173.12
2	A₁	3218	2929	11.72
3	A₁	1584	1442	582.99
4	A₁	1558	1418	188.32
5	A₁	1025	933	43.50
6	A₂	303	276	0.00
7	E	3419	3113	4132.11
7	E	3419	3113	4132.11
8	E	3310	3014	3.27
8	E	3310	3014	3.27
9	E	1706	1553	1036.10
9	E	1706	1553	1036.10
10	E	1614	1469	12.21
10	E	1614	1469	12.21
11	E	1374	1251	7.84
11	E	1374	1251	7.84
12	E	965	879	200.32
12	E	965	879	200.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.790
N2	0.000	0.000	0.699
H3	0.000	-1.022	-1.131
H4	-0.885	0.511	-1.131
H5	0.885	0.511	-1.131
H6	0.000	0.943	1.080
H7	-0.816	-0.471	1.080
H8	0.816	-0.471	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4885	1.0771	1.0771	1.0771	2.0935	2.0935	2.0935
N2	1.4885		2.0956	2.0956	2.0956	1.0166	1.0166	1.0166
H3	1.0771	2.0956		1.7696	1.7696	2.9571	2.4198	2.4198
H4	1.0771	2.0956	1.7696		1.7696	2.4198	2.4198	2.9571
H5	1.0771	2.0956	1.7696	1.7696		2.4198	2.9571	2.4198
H6	2.0935	1.0166	2.9571	2.4198	2.4198		1.6327	1.6327
H7	2.0935	1.0166	2.4198	2.4198	2.9571	1.6327		1.6327
H8	2.0935	1.0166	2.4198	2.9571	2.4198	1.6327	1.6327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.992	C1	N2	H7	111.992
C1	N2	H8	111.992	N2	C1	H3	108.467
N2	C1	H4	108.467	N2	C1	H5	108.467
H3	C1	H4	110.457	H3	C1	H5	110.457
H4	C1	H5	110.457	H6	N2	H7	106.837
H6	N2	H8	106.837	H7	N2	H8	106.837

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.493
2	N	0.011
3	H	0.362
4	H	0.362
5	H	0.362
6	H	-0.201
7	H	-0.201
8	H	-0.201

<r²>	37.152
(<r²>)^1/2	6.095

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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