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	hartrees
Energy at 0K	-711.421815
Energy at 298.15K
HF Energy	-710.222956
Nuclear repulsion energy	515.088942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2005	1848	197.21
2	A'	1540	1419	271.25
3	A'	1464	1350	235.47
4	A'	1356	1250	186.57
5	A'	1307	1204	223.39
6	A'	1114	1027	326.79
7	A'	822	758	18.02
8	A'	701	646	18.86
9	A'	643	593	1.16
10	A'	546	503	4.63
11	A'	393	362	0.90
12	A'	386	355	1.26
13	A'	266	245	1.45
14	A'	187	173	1.98
15	A"	1323	1219	356.44
16	A"	740	682	6.75
17	A"	626	577	0.64
18	A"	504	464	5.48
19	A"	266	246	1.52
20	A"	139	129	0.44
21	A"	42	39	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.410	0.000
C2	-0.503	0.180	0.000
C3	0.277	-1.093	0.000
F4	-0.785	2.461	0.000
F5	1.235	1.725	0.000
F6	-1.818	-0.011	0.000
F7	1.579	-0.870	0.000
F8	-0.023	-1.818	1.067
F9	-0.023	-1.818	-1.067

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3198	2.5209	1.2982	1.2969	2.2898	2.7861	3.3999	3.3999
C2	1.3198		1.4934	2.2979	2.3252	1.3296	2.3314	2.3160	2.3160
C3	2.5209	1.4934		3.7094	2.9765	2.3588	1.3203	1.3248	1.3248
F4	1.2982	2.2979	3.7094		2.1498	2.6794	4.0843	4.4756	4.4756
F5	1.2969	2.3252	2.9765	2.1498		3.5127	2.6178	3.9086	3.9086
F6	2.2898	1.3296	2.3588	2.6794	3.5127		3.5041	2.7622	2.7622
F7	2.7861	2.3314	1.3203	4.0843	2.6178	3.5041		2.1455	2.1455
F8	3.3999	2.3160	1.3248	4.4756	3.9086	2.7622	2.1455		2.1346
F9	3.3999	2.3160	1.3248	4.4756	3.9086	2.7622	2.1455	2.1346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.183	C1	C2	F6	119.600
C2	C1	F4	122.738	C2	C1	F5	125.396
C2	C3	F7	111.765	C2	C3	F8	110.386
C2	C3	F9	110.386	C3	C2	F6	113.217
F4	C1	F5	111.866	F7	C3	F8	108.413
F7	C3	F9	108.413	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)