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	hartrees
Energy at 0K	-711.664704
Energy at 298.15K
HF Energy	-710.376101
Nuclear repulsion energy	516.884668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1998	1848	202.79
2	A'	1531	1417	275.63
3	A'	1463	1353	245.42
4	A'	1356	1255	178.40
5	A'	1313	1215	222.08
6	A'	1124	1040	327.18
7	A'	829	767	18.98
8	A'	706	653	18.54
9	A'	647	598	1.10
10	A'	550	509	4.57
11	A'	395	366	0.48
12	A'	388	359	1.73
13	A'	273	253	1.55
14	A'	187	173	1.98
15	A"	1322	1224	351.25
16	A"	745	690	6.18
17	A"	628	582	0.66
18	A"	508	470	5.54
19	A"	269	249	1.59
20	A"	140	129	0.47
21	A"	43	39	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.407	0.000
C2	-0.496	0.182	0.000
C3	0.279	-1.092	0.000
F4	-0.789	2.449	0.000
F5	1.227	1.728	0.000
F6	-1.806	-0.011	0.000
F7	1.577	-0.875	0.000
F8	-0.024	-1.811	1.064
F9	-0.024	-1.811	-1.064

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3130	2.5174	1.2924	1.2912	2.2778	2.7878	3.3897	3.3897
C2	1.3130		1.4916	2.2853	2.3147	1.3242	2.3272	2.3084	2.3084
C3	2.5174	1.4916		3.6982	2.9743	2.3493	1.3152	1.3196	1.3196
F4	1.2924	2.2853	3.6982		2.1412	2.6615	4.0799	4.4569	4.4569
F5	1.2912	2.3147	2.9743	2.1412		3.4961	2.6262	3.9011	3.9011
F6	2.2778	1.3242	2.3493	2.6615	3.4961		3.4918	2.7480	2.7480
F7	2.7878	2.3272	1.3152	4.0799	2.6262	3.4918		2.1376	2.1376
F8	3.3897	2.3084	1.3196	4.4569	3.9011	2.7480	2.1376		2.1280
F9	3.3897	2.3084	1.3196	4.4569	3.9011	2.7480	2.1376	2.1280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.573	C1	C2	F6	119.470
C2	C1	F4	122.600	C2	C1	F5	125.453
C2	C3	F7	111.860	C2	C3	F8	110.249
C2	C3	F9	110.249	C3	C2	F6	112.956
F4	C1	F5	111.947	F7	C3	F8	108.442
F7	C3	F9	108.442	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CISD/6-311G*

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 C3F6 (hexafluoropropene)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)