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	hartrees
Energy at 0K	-96.252323
Energy at 298.15K	-96.259453
HF Energy	-96.131091
Nuclear repulsion energy	47.404621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	3091	80.06
2	A₁	2801	2801	58.53
3	A₁	1385	1385	82.98
4	A₁	1300	1300	183.53
5	A₁	919	919	37.17
6	A₂	291	291	0.00
7	E	3190	3190	9.16
7	E	3190	3190	9.16
8	E	2381	2381	3944.91
8	E	2381	2381	3945.79
9	E	1509	1509	6.22
9	E	1509	1509	6.23
10	E	1417	1417	1.63
10	E	1417	1417	1.62
11	E	1230	1230	79.88
11	E	1230	1230	79.94
12	E	879	879	101.15
12	E	879	879	101.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.706
H3	0.000	-1.035	-1.131
H4	-0.896	0.517	-1.131
H5	0.896	0.517	-1.131
H6	0.000	0.994	1.079
H7	-0.861	-0.497	1.079
H8	0.861	-0.497	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5044	1.0870	1.0870	1.0870	2.1239	2.1239	2.1239
N2	1.5044		2.1086	2.1086	2.1086	1.0613	1.0613	1.0613
H3	1.0870	2.1086		1.7924	1.7924	2.9998	2.4318	2.4318
H4	1.0870	2.1086	1.7924		1.7924	2.4318	2.4318	2.9998
H5	1.0870	2.1086	1.7924	1.7924		2.4318	2.9998	2.4318
H6	2.1239	1.0613	2.9998	2.4318	2.4318		1.7212	1.7212
H7	2.1239	1.0613	2.4318	2.4318	2.9998	1.7212		1.7212
H8	2.1239	1.0613	2.4318	2.9998	2.4318	1.7212	1.7212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.558	C1	N2	H7	110.558
C1	N2	H8	110.558	N2	C1	H3	107.827
N2	C1	H4	107.827	N2	C1	H5	107.827
H3	C1	H4	111.064	H3	C1	H5	111.064
H4	C1	H5	111.064	H6	N2	H7	108.363
H6	N2	H8	108.363	H7	N2	H8	108.363

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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