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	hartrees
Energy at 0K	-95.625307
Energy at 298.15K
HF Energy	-95.548313
Nuclear repulsion energy	45.812795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	3112	24.50
2	A₁	2266	2266	146.17
3	A₁	1322	1322	167.56
4	A₁	1065	1065	0.03
5	A₁	609	609	13.99
6	A₂	251	251	0.00
7	E	3211	3211	15.71
7	E	3211	3211	15.72
8	E	1553	1553	0.02
8	E	1553	1553	0.02
9	E	1367	1367	698.25
9	E	1367	1367	698.18
10	E	1158	1158	8.01
10	E	1158	1158	8.01
11	E	833	833	10.04
11	E	833	833	10.04
12	E	1231i	1231i	4949.92
12	E	1232i	1232i	4950.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.831
N2	0.000	0.000	0.740
H3	0.000	-1.041	-1.145
H4	-0.902	0.521	-1.145
H5	0.902	0.521	-1.145
H6	0.000	1.074	1.081
H7	-0.930	-0.537	1.081
H8	0.930	-0.537	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5707	1.0876	1.0876	1.0876	2.1933	2.1933	2.1933
N2	1.5707		2.1532	2.1532	2.1532	1.1268	1.1268	1.1268
H3	1.0876	2.1532		1.8036	1.8036	3.0709	2.4649	2.4649
H4	1.0876	2.1532	1.8036		1.8036	2.4649	2.4649	3.0709
H5	1.0876	2.1532	1.8036	1.8036		2.4649	3.0709	2.4649
H6	2.1933	1.1268	3.0709	2.4649	2.4649		1.8598	1.8598
H7	2.1933	1.1268	2.4649	2.4649	3.0709	1.8598		1.8598
H8	2.1933	1.1268	2.4649	3.0709	2.4649	1.8598	1.8598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.655	C1	N2	H7	107.655
C1	N2	H8	107.655	N2	C1	H3	106.776
N2	C1	H4	106.776	N2	C1	H5	106.776
H3	C1	H4	112.026	H3	C1	H5	112.026
H4	C1	H5	112.026	H6	N2	H7	111.225
H6	N2	H8	111.225	H7	N2	H8	111.225

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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