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	hartrees
Energy at 0K	-711.591572
Energy at 298.15K
HF Energy	-710.180561
Nuclear repulsion energy	509.314670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1906	1800	135.82
2	A'	1475	1393	207.56
3	A'	1401	1323	195.65
4	A'	1302	1230	131.17
5	A'	1257	1187	176.91
6	A'	1067	1008	253.77
7	A'	777	734	15.86
8	A'	657	620	15.98
9	A'	607	574	0.94
10	A'	511	482	4.14
11	A'	373	352	0.95
12	A'	364	344	0.82
13	A'	252	238	1.53
14	A'	181	171	1.77
15	A"	1274	1203	282.71
16	A"	641	606	2.54
17	A"	547	517	2.28
18	A"	466	440	4.67
19	A"	241	227	1.29
20	A"	123	116	0.45
21	A"	35	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.419	0.000
C2	-0.501	0.177	0.000
C3	0.280	-1.099	0.000
F4	-0.809	2.481	0.000
F5	1.255	1.740	0.000
F6	-1.835	-0.018	0.000
F7	1.601	-0.869	0.000
F8	-0.024	-1.833	1.084
F9	-0.024	-1.833	-1.084

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3304	2.5366	1.3203	1.3194	2.3113	2.8060	3.4278	3.4278
C2	1.3304		1.4958	2.3247	2.3510	1.3485	2.3468	2.3324	2.3324
C3	2.5366	1.4958		3.7421	3.0021	2.3755	1.3405	1.3438	1.3438
F4	1.3203	2.3247	3.7421		2.1933	2.7009	4.1262	4.5165	4.5165
F5	1.3194	2.3510	3.0021	2.1933		3.5552	2.6314	3.9470	3.9470
F6	2.3113	1.3485	2.3755	2.7009	3.5552		3.5393	2.7835	2.7835
F7	2.8060	2.3468	1.3405	4.1262	2.6314	3.5393		2.1784	2.1784
F8	3.4278	2.3324	1.3438	4.5165	3.9470	2.7835	2.1784		2.1678
F9	3.4278	2.3324	1.3438	4.5165	3.9470	2.7835	2.1784	2.1678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.571	C1	C2	F6	119.260
C2	C1	F4	122.563	C2	C1	F5	125.052
C2	C3	F7	111.552	C2	C3	F8	110.333
C2	C3	F9	110.333	C3	C2	F6	113.169
F4	C1	F5	112.385	F7	C3	F8	108.489
F7	C3	F9	108.489	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)