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	hartrees
Energy at 0K	-707.329503
Energy at 298.15K
HF Energy	-706.337907
Nuclear repulsion energy	503.054389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1858	1786	87.60
2	A'	1405	1351	194.99
3	A'	1359	1306	143.85
4	A'	1301	1251	76.53
5	A'	1230	1183	97.74
6	A'	1035	994	175.63
7	A'	733	704	18.55
8	A'	632	607	16.82
9	A'	587	564	2.93
10	A'	493	474	6.82
11	A'	358	344	2.90
12	A'	351	337	0.17
13	A'	242	232	1.51
14	A'	192	184	3.09
15	A"	1276	1226	234.80
16	A"	675	649	9.04
17	A"	557	536	0.44
18	A"	456	438	7.92
19	A"	242	233	2.44
20	A"	132	127	0.61
21	A"	12i	11i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	0.993	0.000
C2	-0.244	0.495	0.000
C3	-0.585	-0.957	0.000
F4	1.234	2.326	0.000
F5	2.124	0.265	0.000
F6	-1.336	1.339	0.000
F7	0.547	-1.728	0.000
F8	-1.336	-1.279	1.106
F9	-1.336	-1.279	-1.106

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3276	2.5051	1.3557	1.3505	2.3479	2.7566	3.4319	3.4319
C2	1.3276		1.4924	2.3531	2.3792	1.3797	2.3599	2.3584	2.3584
C3	2.5051	1.4924		3.7540	2.9721	2.4162	1.3692	1.3747	1.3747
F4	1.3557	2.3531	3.7540		2.2449	2.7530	4.1121	4.5632	4.5632
F5	1.3505	2.3792	2.9721	2.2449		3.6225	2.5416	3.9466	3.9466
F6	2.3479	1.3797	2.4162	2.7530	3.6225		3.5988	2.8418	2.8418
F7	2.7566	2.3599	1.3692	4.1121	2.5416	3.5988		2.2292	2.2292
F8	3.4319	2.3584	1.3747	4.5632	3.9466	2.8418	2.2292		2.2120
F9	3.4319	2.3584	1.3747	4.5632	3.9466	2.8418	2.2292	2.2120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.233	C1	C2	F6	120.272
C2	C1	F4	122.553	C2	C1	F5	125.343
C2	C3	F7	111.038	C2	C3	F8	110.617
C2	C3	F9	110.617	C3	C2	F6	114.495
F4	C1	F5	112.104	F7	C3	F8	108.663
F7	C3	F9	108.663	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)