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	hartrees
Energy at 0K	-528.583167
Energy at 298.15K	-528.586664
HF Energy	-527.235739
Nuclear repulsion energy	429.880414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3227	3081
2	A₁	3203	3058
3	A₁	1672	1597
4	A₁	1566	1495
5	A₁	1338	1278
6	A₁	1261	1204
7	A₁	1084	1035
8	A₁	834	796
9	A₁	694	662
10	A₁	478	456
11	A₁	295	282
12	A₂	824	786
13	A₂	539	515
14	A₂	248	236
15	B₁	867	828
16	B₁	743	709
17	B₁	512	488
18	B₁	408	389
19	B₁	293	279
20	B₁	148	141
21	B₂	3222	3076
22	B₂	1670	1594
23	B₂	1525	1456
24	B₂	1370	1308
25	B₂	1278	1220
26	B₂	1191	1137
27	B₂	1036	989
28	B₂	571	545
29	B₂	498	475
30	B₂	263	251

Atom	y (Å)	z (Å)
C1	0.000	0.723
C2	1.203	0.012
C3	-1.203	0.012
C4	1.219	-1.382
C5	-1.219	-1.382
C6	0.000	-2.074
F7	0.000	2.072
F8	2.360	0.715
F9	-2.360	0.715
H10	2.177	-1.900
H11	-2.177	-1.900
H12	0.000	-3.163

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.3973	1.3973	2.4328	2.4328	2.7962	1.3490	2.3598	2.3598	3.4087	3.4087	3.8856
C2	1.3973		2.4061	1.3945	2.7951	2.4076	2.3853	1.3536	3.6315	2.1461	3.8834	3.3952
C3	1.3973	2.4061		2.7951	1.3945	2.4076	2.3853	3.6315	1.3536	3.8834	2.1461	3.3952
C4	2.4328	1.3945	2.7951		2.4388	1.4016	3.6631	2.3874	4.1484	1.0886	3.4355	2.1580
C5	2.4328	2.7951	1.3945	2.4388		1.4016	3.6631	4.1484	2.3874	3.4355	1.0886	2.1580
C6	2.7962	2.4076	2.4076	1.4016	1.4016		4.1453	3.6530	3.6530	2.1837	2.1837	1.0894
F7	1.3490	2.3853	2.3853	3.6631	3.6631	4.1453		2.7220	2.7220	4.5295	4.5295	5.2347
F8	2.3598	1.3536	3.6315	2.3874	4.1484	3.6530	2.7220		4.7195	2.6218	5.2365	4.5394
F9	2.3598	3.6315	1.3536	4.1484	2.3874	3.6530	2.7220	4.7195		5.2365	2.6218	4.5394
H10	3.4087	2.1461	3.8834	1.0886	3.4355	2.1837	4.5295	2.6218	5.2365		4.3536	2.5164
H11	3.4087	3.8834	2.1461	3.4355	1.0886	2.1837	4.5295	5.2365	2.6218	4.3536		2.5164
H12	3.8856	3.3952	3.3952	2.1580	2.1580	1.0894	5.2347	4.5394	4.5394	2.5164	2.5164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.246	C1	C2	F8	118.138
C1	C3	C5	121.246	C1	C3	F9	118.138
C2	C1	C3	118.853	C2	C1	F7	120.574
C2	C4	C6	118.870	C2	C4	H10	119.091
C3	C1	F7	120.574	C3	C5	C6	118.870
C3	C5	H11	119.091	C4	C2	F8	120.616
C4	C6	C5	120.915	C4	C6	H12	119.543
C5	C3	F9	120.616	C5	C6	H12	119.543
C6	C4	H10	122.039	C6	C5	H11	122.039

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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