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	hartrees
Energy at 0K	-707.312523
Energy at 298.15K
HF Energy	-706.339248
Nuclear repulsion energy	504.043181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1882	1830	77.25
2	A'	1422	1383	193.77
3	A'	1373	1335	140.04
4	A'	1320	1284	79.46
5	A'	1245	1211	98.72
6	A'	1046	1017	180.12
7	A'	741	721	20.11
8	A'	638	620	16.99
9	A'	592	575	3.04
10	A'	497	484	7.27
11	A'	361	351	2.94
12	A'	354	344	0.18
13	A'	244	237	1.67
14	A'	193	187	3.22
15	A"	1294	1258	234.58
16	A"	688	669	8.46
17	A"	563	547	0.32
18	A"	461	448	8.83
19	A"	245	238	2.70
20	A"	133	130	0.70
21	A"	11i	11i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.985	0.993	0.000
C2	-0.243	0.495	0.000
C3	-0.584	-0.958	0.000
F4	1.231	2.323	0.000
F5	2.120	0.266	0.000
F6	-1.333	1.336	0.000
F7	0.543	-1.727	0.000
F8	-1.333	-1.276	1.103
F9	-1.333	-1.276	-1.103

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3249	2.5031	1.3526	1.3476	2.3432	2.7555	3.4258	3.4258
C2	1.3249		1.4924	2.3481	2.3742	1.3762	2.3577	2.3542	2.3542
C3	2.5031	1.4924		3.7492	2.9682	2.4124	1.3652	1.3710	1.3710
F4	1.3526	2.3481	3.7492		2.2400	2.7479	4.1078	4.5544	4.5544
F5	1.3476	2.3742	2.9682	2.2400		3.6148	2.5416	3.9394	3.9394
F6	2.3432	1.3762	2.4124	2.7479	3.6148		3.5920	2.8349	2.8349
F7	2.7555	2.3577	1.3652	4.1078	2.5416	3.5920		2.2232	2.2232
F8	3.4258	2.3542	1.3710	4.5544	3.9394	2.8349	2.2232		2.2068
F9	3.4258	2.3542	1.3710	4.5544	3.9394	2.8349	2.2232	2.2068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.255	C1	C2	F6	120.323
C2	C1	F4	122.553	C2	C1	F5	125.340
C2	C3	F7	111.106	C2	C3	F8	110.533
C2	C3	F9	110.533	C3	C2	F6	114.422
F4	C1	F5	112.107	F7	C3	F8	108.685
F7	C3	F9	108.685	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)