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	hartrees
Energy at 0K	-96.271156
Energy at 298.15K
HF Energy	-96.152738
Nuclear repulsion energy	47.498624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2978	69.29
2	A₁	3011	2898	46.74
3	A₁	1395	1343	6.44
4	A₁	1362	1310	597.61
5	A₁	944	909	54.88
6	A₂	288	277	0.00
7	E	3201	3081	0.10
7	E	3201	3081	0.10
8	E	2948	2837	2619.72
8	E	2948	2837	2619.40
9	E	1494	1438	126.03
9	E	1494	1438	126.05
10	E	1473	1417	7.57
10	E	1473	1417	7.58
11	E	1241	1194	0.67
11	E	1241	1194	0.67
12	E	887	853	81.46
12	E	887	853	81.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
N2	0.000	0.000	0.706
H3	0.000	-1.040	-1.136
H4	-0.901	0.520	-1.136
H5	0.901	0.520	-1.136
H6	0.000	0.974	1.088
H7	-0.843	-0.487	1.088
H8	0.843	-0.487	1.088

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5049	1.0934	1.0934	1.0934	2.1233	2.1233	2.1233
N2	1.5049		2.1151	2.1151	2.1151	1.0458	1.0458	1.0458
H3	1.0934	2.1151		1.8017	1.8017	3.0000	2.4417	2.4417
H4	1.0934	2.1151	1.8017		1.8017	2.4417	2.4417	3.0000
H5	1.0934	2.1151	1.8017	1.8017		2.4417	3.0000	2.4417
H6	2.1233	1.0458	3.0000	2.4417	2.4417		1.6862	1.6862
H7	2.1233	1.0458	2.4417	2.4417	3.0000	1.6862		1.6862
H8	2.1233	1.0458	2.4417	3.0000	2.4417	1.6862	1.6862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.425	C1	N2	H7	111.425
C1	N2	H8	111.425	N2	C1	H3	107.939
N2	C1	H4	107.939	N2	C1	H5	107.939
H3	C1	H4	110.959	H3	C1	H5	110.959
H4	C1	H5	110.959	H6	N2	H7	107.449
H6	N2	H8	107.449	H7	N2	H8	107.449

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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=FULLultrafine/aug-cc-pVDZ

States and conformations

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