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	hartrees
Energy at 0K	-96.230398
Energy at 298.15K
HF Energy	-96.095131
Nuclear repulsion energy	47.113059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3093	51.74
2	A₁	2530	2530	92.66
3	A₁	1326	1326	120.75
4	A₁	1133	1133	18.04
5	A₁	846	846	24.98
6	A₂	284	284	0.00
7	E	3196	3196	11.94
7	E	3196	3196	11.94
8	E	1667	1667	2296.08
8	E	1667	1667	2296.06
9	E	1488	1488	80.13
9	E	1488	1488	80.13
10	E	1228	1228	4.24
10	E	1228	1228	4.24
11	E	865	865	5.44
11	E	865	865	5.43
12	E	458	458	2492.05
12	E	458	458	2492.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.711
H3	0.000	-1.037	-1.123
H4	-0.898	0.519	-1.123
H5	0.898	0.519	-1.123
H6	0.000	1.031	1.055
H7	-0.893	-0.516	1.055
H8	0.893	-0.516	1.055

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5070	1.0878	1.0878	1.0878	2.1189	2.1189	2.1189
N2	1.5070		2.1071	2.1071	2.1071	1.0872	1.0872	1.0872
H3	1.0878	2.1071		1.7969	1.7969	3.0040	2.4112	2.4112
H4	1.0878	2.1071	1.7969		1.7969	2.4112	2.4112	3.0040
H5	1.0878	2.1071	1.7969	1.7969		2.4112	3.0040	2.4112
H6	2.1189	1.0872	3.0040	2.4112	2.4112		1.7863	1.7863
H7	2.1189	1.0872	2.4112	2.4112	3.0040	1.7863		1.7863
H8	2.1189	1.0872	2.4112	3.0040	2.4112	1.7863	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.449	C1	N2	H7	108.449
C1	N2	H8	108.449	N2	C1	H3	107.498
N2	C1	H4	107.498	N2	C1	H5	107.498
H3	C1	H4	111.370	H3	C1	H5	111.370
H4	C1	H5	111.370	H6	N2	H7	110.474
H6	N2	H8	110.474	H7	N2	H8	110.474

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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