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	hartrees
Energy at 0K	-95.722704
Energy at 298.15K	-95.729984
HF Energy	-95.722704
Nuclear repulsion energy	48.149334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3213	42.63
2	A₁	3207	3207	5.20
3	A₁	1531	1531	6.89
4	A₁	1447	1447	390.31
5	A₁	1020	1020	47.77
6	A₂	329	329	0.00
7	E	3302	3302	0.96
7	E	3302	3302	0.96
8	E	2967	2967	5398.99
8	E	2967	2967	5399.00
9	E	1629	1629	145.17
9	E	1629	1629	145.17
10	E	1603	1603	204.82
10	E	1603	1603	204.82
11	E	1349	1349	6.57
11	E	1349	1349	6.57
12	E	947	947	213.93
12	E	947	947	213.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
N2	0.000	0.000	0.697
H3	0.000	-1.022	-1.130
H4	-0.885	0.511	-1.130
H5	0.885	0.511	-1.130
H6	0.000	0.954	1.081
H7	-0.826	-0.477	1.081
H8	0.826	-0.477	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4861	1.0777	1.0777	1.0777	2.0996	2.0996	2.0996
N2	1.4861		2.0933	2.0933	2.0933	1.0284	1.0284	1.0284
H3	1.0777	2.0933		1.7709	1.7709	2.9655	2.4225	2.4225
H4	1.0777	2.0933	1.7709		1.7709	2.4225	2.4225	2.9655
H5	1.0777	2.0933	1.7709	1.7709		2.4225	2.9655	2.4225
H6	2.0996	1.0284	2.9655	2.4225	2.4225		1.6521	1.6521
H7	2.0996	1.0284	2.4225	2.4225	2.9655	1.6521		1.6521
H8	2.0996	1.0284	2.4225	2.9655	2.4225	1.6521	1.6521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.951	C1	N2	H7	111.951
C1	N2	H8	111.951	N2	C1	H3	108.422
N2	C1	H4	108.422	N2	C1	H5	108.422
H3	C1	H4	110.500	H3	C1	H5	110.500
H4	C1	H5	110.500	H6	N2	H7	106.882
H6	N2	H8	106.882	H7	N2	H8	106.882

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

using model chemistry: ROHF/Def2TZVPP

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	0.078
2	N	0.747
3	H	0.027
4	H	0.027
5	H	0.027
6	H	-0.302
7	H	-0.302
8	H	-0.302

	x	y	z	Total
	0.000	0.000	-2.111	2.111
CHELPG
AIM
ESP

<r²>	32.536
(<r²>)^1/2	5.704

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

using model chemistry: ROHF/Def2TZVPP

States and conformations

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