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	hartrees
Energy at 0K	-711.299671
Energy at 298.15K
HF Energy	-710.185021
Nuclear repulsion energy	514.618022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2010	1861	182.53
2	A'	1542	1428	248.43
3	A'	1470	1361	215.64
4	A'	1366	1265	155.32
5	A'	1317	1219	205.06
6	A'	1122	1038	293.90
7	A'	819	758	17.14
8	A'	692	641	18.86
9	A'	637	590	1.19
10	A'	538	498	4.46
11	A'	390	361	0.96
12	A'	382	354	1.25
13	A'	265	245	1.55
14	A'	187	173	1.89
15	A"	1336	1237	313.98
16	A"	703	651	5.12
17	A"	607	562	1.85
18	A"	493	456	5.65
19	A"	257	238	1.56
20	A"	134	124	0.50
21	A"	39	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.025	1.407	0.000
C2	-0.496	0.180	0.000
C3	0.278	-1.091	0.000
F4	-0.796	2.457	0.000
F5	1.238	1.727	0.000
F6	-1.815	-0.014	0.000
F7	1.585	-0.869	0.000
F8	-0.025	-1.817	1.071
F9	-0.025	-1.817	-1.071

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3142	2.5170	1.3032	1.3023	2.2857	2.7876	3.3970	3.3970
C2	1.3142		1.4888	2.2968	2.3231	1.3336	2.3299	2.3144	2.3144
C3	2.5170	1.4888		3.7080	2.9772	2.3547	1.3248	1.3283	1.3283
F4	1.3032	2.2968	3.7080		2.1613	2.6727	4.0907	4.4731	4.4731
F5	1.3023	2.3231	2.9772	2.1613		3.5142	2.6191	3.9112	3.9112
F6	2.2857	1.3336	2.3547	2.6727	3.5142		3.5056	2.7573	2.7573
F7	2.7876	2.3299	1.3248	4.0907	2.6191	3.5056		2.1527	2.1527
F8	3.3970	2.3144	1.3283	4.4731	3.9112	2.7573	2.1527		2.1416
F9	3.3970	2.3144	1.3283	4.4731	3.9112	2.7573	2.1527	2.1416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.668	C1	C2	F6	119.363
C2	C1	F4	122.684	C2	C1	F5	125.217
C2	C3	F7	111.667	C2	C3	F8	110.344
C2	C3	F9	110.344	C3	C2	F6	112.969
F4	C1	F5	112.099	F7	C3	F8	108.460
F7	C3	F9	108.460	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CISD/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 C3F6 (hexafluoropropene)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)