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	hartrees
Energy at 0K	-711.605798
Energy at 298.15K
HF Energy	-710.179986
Nuclear repulsion energy	509.413330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1877	1769	140.05
2	A'	1465	1381	209.55
3	A'	1388	1308	204.33
4	A'	1274	1201	128.96
5	A'	1250	1178	177.98
6	A'	1060	999	255.59
7	A'	772	727	13.66
8	A'	654	616	14.99
9	A'	604	570	0.70
10	A'	509	479	3.88
11	A'	372	351	1.00
12	A'	363	342	0.67
13	A'	249	235	1.30
14	A'	182	171	1.65
15	A"	1242	1170	284.64
16	A"	641	604	2.52
17	A"	558	526	1.86
18	A"	465	438	3.56
19	A"	242	228	1.01
20	A"	122	115	0.37
21	A"	36	34	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.417	0.000
C2	-0.501	0.173	0.000
C3	0.280	-1.094	0.000
F4	-0.811	2.476	0.000
F5	1.256	1.737	0.000
F6	-1.836	-0.019	0.000
F7	1.602	-0.861	0.000
F8	-0.024	-1.832	1.085
F9	-0.024	-1.832	-1.085

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3330	2.5295	1.3200	1.3187	2.3124	2.7983	3.4254	3.4254
C2	1.3330		1.4883	2.3246	2.3527	1.3482	2.3435	2.3289	2.3289
C3	2.5295	1.4883		3.7336	2.9949	2.3731	1.3429	1.3469	1.3469
F4	1.3200	2.3246	3.7336		2.1950	2.6978	4.1181	4.5121	4.5121
F5	1.3187	2.3527	2.9949	2.1950		3.5556	2.6207	3.9436	3.9436
F6	2.3124	1.3482	2.3731	2.6978	3.5556		3.5394	2.7835	2.7835
F7	2.7983	2.3435	1.3429	4.1181	2.6207	3.5394		2.1828	2.1828
F8	3.4254	2.3289	1.3469	4.5121	3.9436	2.7835	2.1828		2.1707
F9	3.4254	2.3289	1.3469	4.5121	3.9436	2.7835	2.1828	2.1707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.340	C1	C2	F6	119.181
C2	C1	F4	122.369	C2	C1	F5	125.052
C2	C3	F7	111.636	C2	C3	F8	110.360
C2	C3	F9	110.360	C3	C2	F6	113.479
F4	C1	F5	112.578	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: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)