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	hartrees
Energy at 0K	-707.329503
Energy at 298.15K
HF Energy	-706.337907
Nuclear repulsion energy	503.054390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1858	1801	87.60
2	A'	1405	1362	194.99
3	A'	1359	1317	143.85
4	A'	1301	1261	76.53
5	A'	1230	1193	97.74
6	A'	1035	1003	175.63
7	A'	733	710	18.55
8	A'	632	612	16.82
9	A'	587	569	2.93
10	A'	493	478	6.82
11	A'	358	347	2.90
12	A'	351	340	0.17
13	A'	242	234	1.51
14	A'	192	186	3.09
15	A"	1276	1236	234.80
16	A"	675	654	9.04
17	A"	557	540	0.44
18	A"	456	441	7.92
19	A"	242	235	2.44
20	A"	132	128	0.61
21	A"	12i	11i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	0.993	0.000
C2	-0.244	0.495	0.000
C3	-0.585	-0.957	0.000
F4	1.234	2.326	0.000
F5	2.124	0.265	0.000
F6	-1.336	1.339	0.000
F7	0.547	-1.728	0.000
F8	-1.336	-1.279	1.106
F9	-1.336	-1.279	-1.106

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3276	2.5051	1.3557	1.3505	2.3479	2.7566	3.4319	3.4319
C2	1.3276		1.4924	2.3531	2.3792	1.3797	2.3599	2.3584	2.3584
C3	2.5051	1.4924		3.7540	2.9721	2.4162	1.3692	1.3747	1.3747
F4	1.3557	2.3531	3.7540		2.2449	2.7530	4.1121	4.5632	4.5632
F5	1.3505	2.3792	2.9721	2.2449		3.6225	2.5416	3.9466	3.9466
F6	2.3479	1.3797	2.4162	2.7530	3.6225		3.5988	2.8418	2.8418
F7	2.7566	2.3599	1.3692	4.1121	2.5416	3.5988		2.2292	2.2292
F8	3.4319	2.3584	1.3747	4.5632	3.9466	2.8418	2.2292		2.2120
F9	3.4319	2.3584	1.3747	4.5632	3.9466	2.8418	2.2292	2.2120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.233	C1	C2	F6	120.272
C2	C1	F4	122.553	C2	C1	F5	125.343
C2	C3	F7	111.038	C2	C3	F8	110.617
C2	C3	F9	110.617	C3	C2	F6	114.495
F4	C1	F5	112.104	F7	C3	F8	108.663
F7	C3	F9	108.663	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)