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	hartrees
Energy at 0K	-713.321521
Energy at 298.15K
HF Energy	-713.321521
Nuclear repulsion energy	511.882274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1876	1794	179.05
2	A'	1420	1358	265.53
3	A'	1359	1300	222.08
4	A'	1236	1182	11.10
5	A'	1231	1177	357.68
6	A'	1056	1010	316.31
7	A'	779	745	13.47
8	A'	667	638	14.92
9	A'	607	581	0.33
10	A'	518	495	3.32
11	A'	373	357	0.24
12	A'	366	350	1.42
13	A'	259	248	1.08
14	A'	165	157	1.57
15	A"	1197	1145	329.48
16	A"	681	651	2.79
17	A"	583	558	0.74
18	A"	473	453	3.26
19	A"	249	238	0.99
20	A"	127	121	0.34
21	A"	28	26	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.417	0.000
C2	-0.504	0.182	0.000
C3	0.278	-1.097	0.000
F4	-0.794	2.471	0.000
F5	1.241	1.735	0.000
F6	-1.827	-0.005	0.000
F7	1.592	-0.875	0.000
F8	-0.023	-1.830	1.077
F9	-0.023	-1.830	-1.077

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3255	2.5313	1.3057	1.3041	2.2964	2.8038	3.4208	3.4208
C2	1.3255		1.4986	2.3074	2.3370	1.3357	2.3474	2.3320	2.3320
C3	2.5313	1.4986		3.7249	2.9913	2.3712	1.3322	1.3372	1.3372
F4	1.3057	2.3074	3.7249		2.1640	2.6824	4.1093	4.5002	4.5002
F5	1.3041	2.3370	2.9913	2.1640		3.5273	2.6340	3.9334	3.9334
F6	2.2964	1.3357	2.3712	2.6824	3.5273		3.5277	2.7829	2.7829
F7	2.8038	2.3474	1.3322	4.1093	2.6340	3.5277		2.1632	2.1632
F8	3.4208	2.3320	1.3372	4.5002	3.9334	2.7829	2.1632		2.1531
F9	3.4208	2.3320	1.3372	4.5002	3.9334	2.7829	2.1632	2.1531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.253	C1	C2	F6	119.299
C2	C1	F4	122.551	C2	C1	F5	125.420
C2	C3	F7	111.902	C2	C3	F8	110.509
C2	C3	F9	110.509	C3	C2	F6	113.448
F4	C1	F5	112.029	F7	C3	F8	108.262
F7	C3	F9	108.262	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: wB97X-D/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	0.456
2	C	-0.082
3	C	0.686
4	F	-0.149
5	F	-0.144
6	F	-0.194
7	F	-0.190
8	F	-0.191
9	F	-0.191

	x	y	z	Total
	0.241	1.056	0.000	1.083
CHELPG
AIM
ESP

<r²>	293.303
(<r²>)^1/2	17.126

All results from a given calculation for C3F6 (hexafluoropropene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)