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	hartrees
Energy at 0K	-528.924411
Energy at 298.15K
HF Energy	-527.426228
Nuclear repulsion energy	431.228057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3235	3115
2	A₁	3211	3092
3	A₁	1644	1583
4	A₁	1539	1482
5	A₁	1320	1271
6	A₁	1234	1188
7	A₁	1074	1034
8	A₁	824	793
9	A₁	688	663
10	A₁	479	461
11	A₁	302	291
12	A₂	687	661
13	A₂	487	469
14	A₂	158	152
15	B₁	699	674
16	B₁	670	646
17	B₁	404	389
18	B₁	272	262
19	B₁	112	108
20	B₁	1204i	1159i
21	B₂	3230	3110
22	B₂	1639	1578
23	B₂	1505	1449
24	B₂	1337	1287
25	B₂	1266	1219
26	B₂	1178	1134
27	B₂	1022	984
28	B₂	573	552
29	B₂	500	481
30	B₂	278	268

Atom	y (Å)	z (Å)
C1	0.000	0.725
C2	1.201	0.014
C3	-1.201	0.014
C4	1.216	-1.377
C5	-1.216	-1.377
C6	0.000	-2.067
F7	0.000	2.066
F8	2.355	0.708
F9	-2.355	0.708
H10	2.169	-1.892
H11	-2.169	-1.892
H12	0.000	-3.151

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.3954	1.3954	2.4283	2.4283	2.7923	1.3406	2.3551	2.3551	3.3991	3.3991	3.8762
C2	1.3954		2.4014	1.3910	2.7882	2.4027	2.3772	1.3465	3.6227	2.1380	3.8712	3.3852
C3	1.3954	2.4014		2.7882	1.3910	2.4027	2.3772	3.6227	1.3465	3.8712	2.1380	3.3852
C4	2.4283	1.3910	2.7882		2.4316	1.3981	3.6510	2.3752	4.1345	1.0833	3.4234	2.1508
C5	2.4283	2.7882	1.3910	2.4316		1.3981	3.6510	4.1345	2.3752	3.4234	1.0833	2.1508
C6	2.7923	2.4027	2.4027	1.3981	1.3981		4.1329	3.6391	3.6391	2.1756	2.1756	1.0839
F7	1.3406	2.3772	2.3772	3.6510	3.6510	4.1329		2.7188	2.7188	4.5132	4.5132	5.2168
F8	2.3551	1.3465	3.6227	2.3752	4.1345	3.6391	2.7188		4.7101	2.6062	5.2174	4.5203
F9	2.3551	3.6227	1.3465	4.1345	2.3752	3.6391	2.7188	4.7101		5.2174	2.6062	4.5203
H10	3.3991	2.1380	3.8712	1.0833	3.4234	2.1756	4.5132	2.6062	5.2174		4.3372	2.5074
H11	3.3991	3.8712	2.1380	3.4234	1.0833	2.1756	4.5132	5.2174	2.6062	4.3372		2.5074
H12	3.8762	3.3852	3.3852	2.1508	2.1508	1.0839	5.2168	4.5203	4.5203	2.5074	2.5074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.257	C1	C2	F8	118.382
C1	C3	C5	121.257	C1	C3	F9	118.382
C2	C1	C3	118.731	C2	C1	F7	120.634
C2	C4	C6	118.963	C2	C4	H10	119.035
C3	C1	F7	120.634	C3	C5	C6	118.963
C3	C5	H11	119.035	C4	C2	F8	120.361
C4	C6	C5	120.830	C4	C6	H12	119.585
C5	C3	F9	120.361	C5	C6	H12	119.585
C6	C4	H10	122.003	C6	C5	H11	122.003

All results from a given calculation for C₆H₃F₃ (Benzene trifluoride 123)

using model chemistry: MP4/TZVP

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 C6H3F3 (Benzene trifluoride 123)

using model chemistry: MP4/TZVP

States and conformations

All results from a given calculation for C₆H₃F₃ (Benzene trifluoride 123)