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	hartrees
Energy at 0K	-106.793720
Energy at 298.15K	-106.797077
HF Energy	-106.037099
Nuclear repulsion energy	214.785261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3119	5.87
2	A₁	3183	3076	5.99
3	A₁	1616	1562	1.12
4	A₁	1485	1435	91.87
5	A₁	1261	1218	63.09
6	A₁	1155	1116	2.66
7	A₁	1053	1017	15.41
8	A₁	803	776	11.63
9	A₁	638	616	27.05
10	A₁	455	440	0.19
11	A₁	278	269	3.31
12	A₂	856	827	0.00
13	A₂	519	502	0.00
14	A₂	241	233	0.00
15	B₁	873	844	0.34
16	B₁	773	747	107.53
17	B₁	513	496	0.01
18	B₁	461	445	0.01
19	B₁	277	268	0.33
20	B₁	140	135	0.61
21	B₂	3215	3106	3.10
22	B₂	1614	1559	39.96
23	B₂	1465	1416	51.42
24	B₂	1380	1334	0.02
25	B₂	1237	1196	17.01
26	B₂	1183	1143	2.57
27	B₂	939	907	116.48
28	B₂	546	527	4.58
29	B₂	468	452	0.74
30	B₂	256	247	0.19

Atom	y (Å)	z (Å)
C1	0.000	0.743
C2	1.232	0.016
C3	-1.232	0.016
C4	1.244	-1.411
C5	-1.244	-1.411
C6	0.000	-2.118
F7	0.000	2.119
F8	2.417	0.722
F9	-2.417	0.722
H10	2.203	-1.932
H11	-2.203	-1.932
H12	0.000	-3.210

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.4308	1.4308	2.4874	2.4874	2.8613	1.3760	2.4168	2.4168	3.4656	3.4656	3.9536
C2	1.4308		2.4639	1.4262	2.8575	2.4638	2.4378	1.3793	3.7164	2.1763	3.9487	3.4532
C3	1.4308	2.4639		2.8575	1.4262	2.4638	2.4378	3.7164	1.3793	3.9487	2.1763	3.4532
C4	2.4874	1.4262	2.8575		2.4886	1.4314	3.7427	2.4333	4.2367	1.0913	3.4866	2.1881
C5	2.4874	2.8575	1.4262	2.4886		1.4314	3.7427	4.2367	2.4333	3.4866	1.0913	2.1881
C6	2.8613	2.4638	2.4638	1.4314	1.4314		4.2373	3.7290	3.7290	2.2108	2.2108	1.0923
F7	1.3760	2.4378	2.4378	3.7427	3.7427	4.2373		2.7917	2.7917	4.6115	4.6115	5.3296
F8	2.4168	1.3793	3.7164	2.4333	4.2367	3.7290	2.7917		4.8335	2.6624	5.3277	4.6154
F9	2.4168	3.7164	1.3793	4.2367	2.4333	3.7290	2.7917	4.8335		5.3277	2.6624	4.6154
H10	3.4656	2.1763	3.9487	1.0913	3.4866	2.2108	4.6115	2.6624	5.3277		4.4060	2.5470
H11	3.4656	3.9487	2.1763	3.4866	1.0913	2.2108	4.6115	5.3277	2.6624	4.4060		2.5470
H12	3.9536	3.4532	3.4532	2.1881	2.1881	1.0923	5.3296	4.6154	4.6154	2.5470	2.5470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.066	C1	C2	F8	118.637
C1	C3	C5	121.066	C1	C3	F9	118.637
C2	C1	C3	118.864	C2	C1	F7	120.568
C2	C4	C6	119.126	C2	C4	H10	119.044
C3	C1	F7	120.568	C3	C5	C6	119.126
C3	C5	H11	119.044	C4	C2	F8	120.297
C4	C6	C5	120.752	C4	C6	H12	119.624
C5	C3	F9	120.297	C5	C6	H12	119.624
C6	C4	H10	121.830	C6	C5	H11	121.830

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

using model chemistry: MP2/CEP-31G

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: MP2/CEP-31G

States and conformations

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