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	hartrees
Energy at 0K	-96.294724
Energy at 298.15K	-96.301846
HF Energy	-96.156367
Nuclear repulsion energy	47.506369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	2956	77.90
2	A₁	2833	2718	38.40
3	A₁	1377	1321	59.86
4	A₁	1264	1213	223.35
5	A₁	913	876	37.33
6	A₂	286	275	0.00
7	E	3176	3047	4.89
7	E	3176	3047	4.88
8	E	2500	2399	3263.79
8	E	2500	2399	3263.67
9	E	1492	1432	0.95
9	E	1492	1432	0.94
10	E	1395	1338	0.37
10	E	1395	1338	0.37
11	E	1223	1173	44.45
11	E	1223	1173	44.42
12	E	870	834	85.38
12	E	870	834	85.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.706
H3	0.000	-1.033	-1.129
H4	-0.895	0.517	-1.129
H5	0.895	0.517	-1.129
H6	0.000	0.988	1.078
H7	-0.856	-0.494	1.078
H8	0.856	-0.494	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5034	1.0849	1.0849	1.0849	2.1203	2.1203	2.1203
N2	1.5034		2.1054	2.1054	2.1054	1.0563	1.0563	1.0563
H3	1.0849	2.1054		1.7896	1.7896	2.9929	2.4277	2.4277
H4	1.0849	2.1054	1.7896		1.7896	2.4277	2.4277	2.9929
H5	1.0849	2.1054	1.7896	1.7896		2.4277	2.9929	2.4277
H6	2.1203	1.0563	2.9929	2.4277	2.4277		1.7121	1.7121
H7	2.1203	1.0563	2.4277	2.4277	2.9929	1.7121		1.7121
H8	2.1203	1.0563	2.4277	2.9929	2.4277	1.7121	1.7121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.646	C1	N2	H7	110.646
C1	N2	H8	110.646	N2	C1	H3	107.767
N2	C1	H4	107.767	N2	C1	H5	107.767
H3	C1	H4	111.121	H3	C1	H5	111.121
H4	C1	H5	111.121	H6	N2	H7	108.271
H6	N2	H8	108.271	H7	N2	H8	108.271

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

using model chemistry: B2PLYP/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	-0.142
2	N	0.367
3	H	0.080
4	H	0.080
5	H	0.080
6	H	-0.155
7	H	-0.155
8	H	-0.155

	x	y	z
x	14.222	0.000	0.000
y	0.000	14.223	-0.001
z	0.000	-0.001	9.263

<r²>	32.397
(<r²>)^1/2	5.692

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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