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	hartrees
Energy at 0K	-711.997733
Energy at 298.15K
HF Energy	-710.372089
Nuclear repulsion energy	510.880662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1881	1801	152.56
2	A'	1453	1391	227.43
3	A'	1382	1323	221.84
4	A'	1281	1226	147.50
5	A'	1243	1190	188.50
6	A'	1061	1016	279.52
7	A'	782	748	17.00
8	A'	666	638	14.80
9	A'	614	587	0.75
10	A'	521	499	3.97
11	A'	376	360	0.52
12	A'	369	353	1.20
13	A'	261	250	1.47
14	A'	179	172	1.78
15	A"	1248	1195	312.73
16	A"	669	641	3.67
17	A"	579	554	0.87
18	A"	478	458	4.25
19	A"	252	241	1.31
20	A"	129	124	0.39
21	A"	38	37	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.423	0.000
C2	-0.501	0.179	0.000
C3	0.282	-1.102	0.000
F4	-0.804	2.475	0.000
F5	1.244	1.748	0.000
F6	-1.827	-0.015	0.000
F7	1.595	-0.880	0.000
F8	-0.024	-1.830	1.078
F9	-0.024	-1.830	-1.078

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3320	2.5430	1.3104	1.3091	2.3060	2.8147	3.4266	3.4266
C2	1.3320		1.5011	2.3163	2.3464	1.3402	2.3481	2.3292	2.3292
C3	2.5430	1.5011		3.7386	3.0076	2.3725	1.3318	1.3360	1.3360
F4	1.3104	2.3163	3.7386		2.1739	2.6922	4.1248	4.5064	4.5064
F5	1.3091	2.3464	3.0076	2.1739		3.5410	2.6507	3.9459	3.9459
F6	2.3060	1.3402	2.3725	2.6922	3.5410		3.5295	2.7760	2.7760
F7	2.8147	2.3481	1.3318	4.1248	2.6507	3.5295		2.1646	2.1646
F8	3.4266	2.3292	1.3360	4.5064	3.9459	2.7760	2.1646		2.1551
F9	3.4266	2.3292	1.3360	4.5064	3.9459	2.7760	2.1646	2.1551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.593	C1	C2	F6	119.302
C2	C1	F4	122.473	C2	C1	F5	125.352
C2	C3	F7	111.826	C2	C3	F8	110.224
C2	C3	F9	110.224	C3	C2	F6	113.105
F4	C1	F5	112.175	F7	C3	F8	108.462
F7	C3	F9	108.462	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)