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	hartrees
Energy at 0K	-712.406579
Energy at 298.15K
HF Energy	-710.459622
Nuclear repulsion energy	511.683175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1850	1757	154.59
2	A'	1441	1368	218.83
3	A'	1374	1304	214.49
4	A'	1249	1186	172.57
5	A'	1243	1180	148.40
6	A'	1059	1005	269.29
7	A'	780	740	14.11
8	A'	665	631	13.74
9	A'	612	581	0.36
10	A'	520	493	3.45
11	A'	375	356	0.40
12	A'	367	348	0.89
13	A'	258	245	1.06
14	A'	178	169	1.29
15	A"	1208	1147	293.11
16	A"	669	635	2.64
17	A"	582	552	0.59
18	A"	473	449	2.45
19	A"	251	238	0.78
20	A"	128	121	0.28
21	A"	40	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.418	0.000
C2	-0.502	0.176	0.000
C3	0.280	-1.097	0.000
F4	-0.801	2.469	0.000
F5	1.243	1.741	0.000
F6	-1.826	-0.010	0.000
F7	1.592	-0.872	0.000
F8	-0.022	-1.830	1.076
F9	-0.022	-1.830	-1.076

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3322	2.5335	1.3079	1.3057	2.3007	2.8018	3.4224	3.4224
C2	1.3322		1.4936	2.3132	2.3444	1.3368	2.3411	2.3263	2.3263
C3	2.5335	1.4936		3.7265	2.9971	2.3699	1.3309	1.3372	1.3372
F4	1.3079	2.3132	3.7265		2.1695	2.6829	4.1094	4.5001	4.5001
F5	1.3057	2.3444	2.9971	2.1695		3.5333	2.6362	3.9391	3.9391
F6	2.3007	1.3368	2.3699	2.6829	3.5333		3.5246	2.7791	2.7791
F7	2.8018	2.3411	1.3309	4.1094	2.6362	3.5246		2.1643	2.1643
F8	3.4224	2.3263	1.3372	4.5001	3.9391	2.7791	2.1643		2.1530
F9	3.4224	2.3263	1.3372	4.5001	3.9391	2.7791	2.1643	2.1530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.321	C1	C2	F6	119.085
C2	C1	F4	122.363	C2	C1	F5	125.422
C2	C3	F7	111.831	C2	C3	F8	110.404
C2	C3	F9	110.404	C3	C2	F6	113.594
F4	C1	F5	112.215	F7	C3	F8	108.417
F7	C3	F9	108.417	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)