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	hartrees
Energy at 0K	-160.165332
Energy at 298.15K
HF Energy	-159.333069
Nuclear repulsion energy	267.860615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1761	1702	131.04
2	A'	1327	1283	140.88
3	A'	1208	1167	172.14
4	A'	1098	1061	28.11
5	A'	1079	1043	224.08
6	A'	926	895	245.81
7	A'	667	645	9.72
8	A'	579	559	17.59
9	A'	537	519	1.31
10	A'	448	433	8.05
11	A'	339	327	2.83
12	A'	327	316	0.68
13	A'	240	231	1.93
14	A'	158	153	3.22
15	A"	1052	1016	277.02
16	A"	583	563	2.61
17	A"	478	462	2.00
18	A"	405	392	7.96
19	A"	225	218	3.06
20	A"	121	117	0.99
21	A"	28	27	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	1.472	0.000
C2	-0.509	0.179	0.000
C3	0.283	-1.130	0.000
F4	-0.860	2.579	0.000
F5	1.311	1.831	0.000
F6	-1.911	-0.016	0.000
F7	1.681	-0.905	0.000
F8	-0.026	-1.918	1.140
F9	-0.026	-1.918	-1.140

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3804	2.6202	1.3852	1.3844	2.4021	2.9271	3.5771	3.5771
C2	1.3804		1.5295	2.4253	2.4578	1.4161	2.4434	2.4354	2.4354
C3	2.6202	1.5295		3.8804	3.1342	2.4606	1.4156	1.4205	1.4205
F4	1.3852	2.4253	3.8804		2.2955	2.8002	4.3120	4.7135	4.7135
F5	1.3844	2.4578	3.1342	2.2955		3.7143	2.7617	4.1409	4.1409
F6	2.4021	1.4161	2.4606	2.8002	3.7143		3.7004	2.9104	2.9104
F7	2.9271	2.4434	1.4156	4.3120	2.7617	3.7004		2.2891	2.2891
F8	3.5771	2.4354	1.4205	4.7135	4.1409	2.9104	2.2891		2.2806
F9	3.5771	2.4354	1.4205	4.7135	4.1409	2.9104	2.2891	2.2806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.363	C1	C2	F6	118.392
C2	C1	F4	122.554	C2	C1	F5	125.489
C2	C3	F7	112.067	C2	C3	F8	111.237
C2	C3	F9	111.237	C3	C2	F6	113.244
F4	C1	F5	111.957	F7	C3	F8	107.632
F7	C3	F9	107.632	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)