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	hartrees
Energy at 0K	-749.987034
Energy at 298.15K
HF Energy	-748.038731
Nuclear repulsion energy	564.741648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1907	1807	0.00
2	A_g	1477	1400	0.00
3	A_g	1390	1317	0.00
4	A_g	1228	1163	0.00
5	A_g	731	692	0.00
6	A_g	599	567	0.00
7	A_g	384	363	0.00
8	A_g	356	337	0.00
9	A_g	223	211	0.00
10	A_u	570	540	3.80
11	A_u	352	334	4.29
12	A_u	112	106	0.09
13	A_u	13i	12i	0.08
14	B_g	630	597	0.00
15	B_g	489	464	0.00
16	B_g	186	176	0.00
17	B_u	1841	1745	314.40
18	B_u	1412	1338	359.44
19	B_u	1265	1199	278.69
20	B_u	987	935	236.60
21	B_u	635	601	6.50
22	B_u	506	480	3.46
23	B_u	287	272	5.83
24	B_u	139	132	0.76

Atom	x (Å)	y (Å)
C1	0.158	1.849
C2	0.472	0.555
C3	-0.472	-0.555
C4	-0.158	-1.849
F5	1.058	2.797
F6	-1.058	2.324
F7	1.764	0.220
F8	-1.764	-0.220
F9	1.058	-2.324
F10	-1.058	-2.797

	C1	C2	C3	C4	F5	F6	F7	F8	F9	F10
C1		1.3316	2.4853	3.7115	1.3072	1.3054	2.2875	2.8243	4.2686	4.8024
C2	1.3316		1.4578	2.4853	2.3171	2.3389	1.3344	2.3672	2.9376	3.6849
C3	2.4853	1.4578		1.3316	3.6849	2.9376	2.3672	1.3344	2.3389	2.3171
C4	3.7115	2.4853	1.3316		4.8024	4.2686	2.8243	2.2875	1.3054	1.3072
F5	1.3072	2.3171	3.6849	4.8024		2.1686	2.6716	4.1315	5.1205	5.9808
F6	1.3054	2.3389	2.9376	4.2686	2.1686		3.5198	2.6401	5.1064	5.1205
F7	2.2875	1.3344	2.3672	2.8243	2.6716	3.5198		3.5558	2.6401	4.1315
F8	2.8243	2.3672	1.3344	2.2875	4.1315	2.6401	3.5558		3.5198	2.6716
F9	4.2686	2.9376	2.3389	1.3054	5.1205	5.1064	2.6401	3.5198		2.1686
F10	4.8024	3.6849	2.3171	1.3072	5.9808	5.1205	4.1315	2.6716	2.1686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.938	C1	C2	F7	118.188
C2	C1	F5	122.819	C2	C1	F6	124.979
C2	C3	C4	125.938	C2	C3	F8	115.874
C3	C2	F7	115.874	C3	C4	F9	124.979
C3	C4	F10	122.819	C4	C3	F8	118.188
F5	C1	F6	112.202	F9	C4	F10	112.202

All results from a given calculation for C₄F₆ (perfluorobutadiene)

using model chemistry: QCISD/6-31G(2df,p)

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 C4F6 (perfluorobutadiene)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄F₆ (perfluorobutadiene)