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	hartrees
Energy at 0K	-710.376369
Energy at 298.15K
HF Energy	-710.376369
Nuclear repulsion energy	518.181770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2038	1851	230.28	33.07	0.30	0.46
2	A'	1557	1415	305.08	2.06	0.13	0.23
3	A'	1486	1350	251.24	1.52	0.13	0.23
4	A'	1385	1258	180.53	1.32	0.56	0.72
5	A'	1329	1207	263.36	0.56	0.36	0.53
6	A'	1143	1038	364.42	0.62	0.68	0.81
7	A'	846	768	21.19	6.24	0.03	0.06
8	A'	722	656	19.61	2.28	0.30	0.47
9	A'	661	601	1.37	1.14	0.71	0.83
10	A'	564	513	4.81	0.56	0.61	0.75
11	A'	404	367	0.24	1.77	0.75	0.86
12	A'	395	359	2.24	2.58	0.35	0.52
13	A'	279	254	1.73	0.03	0.24	0.38
14	A'	189	172	2.22	0.08	0.51	0.68
15	A"	1353	1229	376.26	2.93	0.75	0.86
16	A"	772	701	7.66	10.50	0.75	0.86
17	A"	646	587	0.87	3.44	0.75	0.86
18	A"	521	473	6.67	0.55	0.75	0.86
19	A"	275	250	1.90	0.42	0.75	0.86
20	A"	144	131	0.57	0.59	0.75	0.86
21	A"	44	40	0.01	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.406	0.000
C2	-0.495	0.187	0.000
C3	0.278	-1.093	0.000
F4	-0.781	2.447	0.000
F5	1.222	1.725	0.000
F6	-1.803	-0.004	0.000
F7	1.570	-0.882	0.000
F8	-0.024	-1.810	1.059
F9	-0.024	-1.810	-1.059

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3072	2.5176	1.2869	1.2859	2.2697	2.7891	3.3859	3.3859
C2	1.3072		1.4957	2.2778	2.3055	1.3209	2.3262	2.3089	2.3089
C3	2.5176	1.4957		3.6950	2.9723	2.3486	1.3095	1.3137	1.3137
F4	1.2869	2.2778	3.6950		2.1289	2.6549	4.0758	4.4512	4.4512
F5	1.2859	2.3055	2.9723	2.1289		3.4837	2.6308	3.8949	3.8949
F6	2.2697	1.3209	2.3486	2.6549	3.4837		3.4855	2.7471	2.7471
F7	2.7891	2.3262	1.3095	4.0758	2.6308	3.4855		2.1268	2.1268
F8	3.3859	2.3089	1.3137	4.4512	3.8949	2.7471	2.1268		2.1176
F9	3.3859	2.3089	1.3137	4.4512	3.8949	2.7471	2.1268	2.1176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.710	C1	C2	F6	119.449
C2	C1	F4	122.809	C2	C1	F5	125.518
C2	C3	F7	111.874	C2	C3	F8	110.367
C2	C3	F9	110.367	C3	C2	F6	112.841
F4	C1	F5	111.673	F7	C3	F8	108.345
F7	C3	F9	108.345	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: HF/6-311G**

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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Number	Element	Mulliken
1	C	0.610
2	C	-0.060
3	C	0.951
4	F	-0.216
5	F	-0.214
6	F	-0.274
7	F	-0.266
8	F	-0.265
9	F	-0.265

	x	y	z	Total
	0.337	1.063	0.000	1.115
CHELPG
AIM
ESP

	x	y	z
x	4.259	0.489	0.000
y	0.489	5.768	0.000
z	0.000	0.000	3.168

<r²>	288.154
(<r²>)^1/2	16.975

All results from a given calculation for C3F6 (hexafluoropropene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)