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	hartrees
Energy at 0K	-96.212770
Energy at 298.15K	-96.219340
HF Energy	-96.093793
Nuclear repulsion energy	47.032612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	3112	47.36
2	A₁	2535	2535	88.55
3	A₁	1343	1343	113.32
4	A₁	1137	1137	18.21
5	A₁	829	829	22.74
6	A₂	285	285	0.00
7	E	3216	3216	14.05
7	E	3216	3216	14.05
8	E	1661	1661	2370.84
8	E	1661	1661	2370.82
9	E	1509	1509	92.43
9	E	1509	1509	92.47
10	E	1231	1231	2.18
10	E	1231	1231	2.18
11	E	865	865	3.63
11	E	865	865	3.63
12	E	506	506	2599.79
12	E	505	505	2600.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.712
H3	0.000	-1.036	-1.128
H4	-0.897	0.518	-1.128
H5	0.897	0.518	-1.128
H6	0.000	1.031	1.062
H7	-0.893	-0.516	1.062
H8	0.893	-0.516	1.062

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5107	1.0870	1.0870	1.0870	2.1270	2.1270	2.1270
N2	1.5107		2.1118	2.1118	2.1118	1.0889	1.0889	1.0889
H3	1.0870	2.1118		1.7941	1.7941	3.0114	2.4215	2.4215
H4	1.0870	2.1118	1.7941		1.7941	2.4215	2.4215	3.0114
H5	1.0870	2.1118	1.7941	1.7941		2.4215	3.0114	2.4215
H6	2.1270	1.0889	3.0114	2.4215	2.4215		1.7862	1.7862
H7	2.1270	1.0889	2.4215	2.4215	3.0114	1.7862		1.7862
H8	2.1270	1.0889	2.4215	3.0114	2.4215	1.7862	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.727	C1	N2	H7	108.727
C1	N2	H8	108.727	N2	C1	H3	107.650
N2	C1	H4	107.650	N2	C1	H5	107.650
H3	C1	H4	111.230	H3	C1	H5	111.230
H4	C1	H5	111.230	H6	N2	H7	110.205
H6	N2	H8	110.205	H7	N2	H8	110.205

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

using model chemistry: B2PLYP=FULL/6-31G**

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

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

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