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	hartrees
Energy at 0K	-96.268048
Energy at 298.15K
HF Energy	-96.268048
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3103	33.91
2	A₁	2444	2444	320.67
3	A₁	1319	1319	128.93
4	A₁	1152	1152	2.10
5	A₁	607	607	51.74
6	A₂	254	254	0.00
7	E	3221	3221	14.21
7	E	3221	3221	14.23
8	E	1511	1511	23.57
8	E	1511	1511	23.57
9	E	1438	1438	1190.89
9	E	1438	1438	1191.65
10	E	1158	1158	19.00
10	E	1158	1158	19.08
11	E	852	852	13.03
11	E	852	852	13.06
12	E	471i	471i	3531.09
12	E	471i	471i	3533.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.820
N2	0.000	0.000	0.729
H3	0.000	-1.040	-1.153
H4	-0.900	0.520	-1.153
H5	0.900	0.520	-1.153
H6	0.000	1.041	1.091
H7	-0.902	-0.521	1.091
H8	0.902	-0.521	1.091

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5491	1.0916	1.0916	1.0916	2.1760	2.1760	2.1760
N2	1.5491		2.1500	2.1500	2.1500	1.1021	1.1021	1.1021
H3	1.0916	2.1500		1.8006	1.8006	3.0599	2.4730	2.4730
H4	1.0916	2.1500	1.8006		1.8006	2.4730	2.4730	3.0599
H5	1.0916	2.1500	1.8006	1.8006		2.4730	3.0599	2.4730
H6	2.1760	1.1021	3.0599	2.4730	2.4730		1.8033	1.8033
H7	2.1760	1.1021	2.4730	2.4730	3.0599	1.8033		1.8033
H8	2.1760	1.1021	2.4730	3.0599	2.4730	1.8033	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.151	C1	N2	H7	109.151
C1	N2	H8	109.151	N2	C1	H3	107.754
N2	C1	H4	107.754	N2	C1	H5	107.754
H3	C1	H4	111.133	H3	C1	H5	111.133
H4	C1	H5	111.133	H6	N2	H7	109.790
H6	N2	H8	109.790	H7	N2	H8	109.790

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

using model chemistry: wB97X-D/SDD

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	-0.660
2	N	-0.335
3	H	0.224
4	H	0.224
5	H	0.224
6	H	0.108
7	H	0.108
8	H	0.108

	x	y	z	Total
	0.000	0.000	-0.553	0.553
CHELPG
AIM
ESP

	x	y	z
x	6.709	0.000	0.000
y	0.000	6.706	0.001
z	0.000	0.001	6.172

<r²>	32.000
(<r²>)^1/2	5.657

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

using model chemistry: wB97X-D/SDD

States and conformations

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