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	hartrees
Energy at 0K	-96.112701
Energy at 298.15K	-96.119870
HF Energy	-95.721117
Nuclear repulsion energy	47.424052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	3089	51.95
2	A₁	3071	3071	81.81
3	A₁	1410	1410	15.01
4	A₁	1391	1391	631.43
5	A₁	961	961	52.14
6	A₂	289	289	0.00
7	E	3195	3195	5.51
7	E	3195	3195	5.51
8	E	3045	3045	2866.22
8	E	3045	3045	2866.22
9	E	1528	1528	282.19
9	E	1528	1528	282.19
10	E	1484	1484	0.00
10	E	1484	1484	0.00
11	E	1251	1251	0.27
11	E	1251	1251	0.27
12	E	888	888	103.99
12	E	888	888	103.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.801
N2	0.000	0.000	0.707
H3	0.000	-1.044	-1.140
H4	-0.904	0.522	-1.140
H5	0.904	0.522	-1.140
H6	0.000	0.972	1.091
H7	-0.841	-0.486	1.091
H8	0.841	-0.486	1.091

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5075	1.0975	1.0975	1.0975	2.1265	2.1265	2.1265
N2	1.5075		2.1213	2.1213	2.1213	1.0447	1.0447	1.0447
H3	1.0975	2.1213		1.8078	1.8078	3.0063	2.4486	2.4486
H4	1.0975	2.1213	1.8078		1.8079	2.4486	2.4486	3.0063
H5	1.0975	2.1213	1.8078	1.8079		2.4486	3.0063	2.4486
H6	2.1265	1.0447	3.0063	2.4486	2.4486		1.6827	1.6827
H7	2.1265	1.0447	2.4486	2.4486	3.0063	1.6827		1.6827
H8	2.1265	1.0447	2.4486	3.0063	2.4486	1.6827	1.6827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.574	C1	N2	H7	111.574
C1	N2	H8	111.574	N2	C1	H3	108.003
N2	C1	H4	108.003	N2	C1	H5	108.003
H3	C1	H4	110.898	H3	C1	H5	110.898
H4	C1	H5	110.898	H6	N2	H7	107.289
H6	N2	H8	107.289	H7	N2	H8	107.289

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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