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	hartrees
Energy at 0K	-711.710734
Energy at 298.15K
HF Energy	-710.219793
Nuclear repulsion energy	510.451129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1907	1807	146.65
2	A'	1481	1404	236.10
3	A'	1408	1335	207.92
4	A'	1307	1239	162.52
5	A'	1261	1195	192.28
6	A'	1070	1014	286.03
7	A'	788	747	17.61
8	A'	671	636	16.05
9	A'	618	586	0.95
10	A'	524	497	4.32
11	A'	377	358	0.83
12	A'	370	351	0.90
13	A'	255	242	1.45
14	A'	181	171	1.83
15	A"	1274	1208	319.09
16	A"	679	644	4.52
17	A"	588	558	0.72
18	A"	481	456	4.60
19	A"	253	240	1.32
20	A"	131	124	0.40
21	A"	38	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.423	0.000
C2	-0.509	0.177	0.000
C3	0.280	-1.103	0.000
F4	-0.794	2.483	0.000
F5	1.249	1.739	0.000
F6	-1.836	-0.013	0.000
F7	1.592	-0.872	0.000
F8	-0.022	-1.834	1.077
F9	-0.022	-1.834	-1.077

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3374	2.5434	1.3114	1.3101	2.3136	2.8058	3.4303	3.4303
C2	1.3374		1.5032	2.3234	2.3516	1.3406	2.3482	2.3328	2.3328
C3	2.5434	1.5032		3.7429	3.0022	2.3795	1.3320	1.3365	1.3365
F4	1.3114	2.3234	3.7429		2.1747	2.7052	4.1172	4.5158	4.5158
F5	1.3101	2.3516	3.0022	2.1747		3.5481	2.6335	3.9421	3.9421
F6	2.3136	1.3406	2.3795	2.7052	3.5481		3.5335	2.7864	2.7864
F7	2.8058	2.3482	1.3320	4.1172	2.6335	3.5335		2.1653	2.1653
F8	3.4303	2.3328	1.3365	4.5158	3.9421	2.7864	2.1653		2.1544
F9	3.4303	2.3328	1.3365	4.5158	3.9421	2.7864	2.1653	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.012	C1	C2	F6	119.523
C2	C1	F4	122.596	C2	C1	F5	125.296
C2	C3	F7	111.695	C2	C3	F8	110.328
C2	C3	F9	110.328	C3	C2	F6	113.465
F4	C1	F5	112.108	F7	C3	F8	108.476
F7	C3	F9	108.476	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)