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	hartrees
Energy at 0K	-910.885173
Energy at 298.15K	-910.888713
HF Energy	-909.118827
Nuclear repulsion energy	796.347604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1446	1377	8.39
2	A₁	1344	1280	325.70
3	A₁	1198	1141	190.70
4	A₁	787	750	2.69
5	A₁	672	640	3.53
6	A₁	540	514	10.56
7	A₁	382	364	0.08
8	A₁	323	308	0.49
9	A₁	158	150	0.89
10	A₂	1292	1231	0.00
11	A₂	567	540	0.00
12	A₂	352	335	0.00
13	A₂	225	215	0.00
14	A₂	20	19	0.00
15	B₁	1336	1272	513.51
16	B₁	1278	1217	118.76
17	B₁	630	600	1.30
18	B₁	463	441	3.66
19	B₁	216	206	4.15
20	B₁	89	85	0.04
21	B₂	1448	1379	125.15
22	B₂	1278	1217	57.98
23	B₂	1041	991	230.79
24	B₂	728	693	54.51
25	B₂	534	508	8.97
26	B₂	343	327	0.02
27	B₂	270	257	3.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.585
C2	0.000	1.300	-0.232
C3	0.000	-1.300	-0.232
F4	1.105	0.000	1.367
F5	-1.105	0.000	1.367
F6	0.000	2.342	0.607
F7	0.000	-2.342	0.607
F8	1.090	1.362	-1.007
F9	-1.090	1.362	-1.007
F10	-1.090	-1.362	-1.007
F11	1.090	-1.362	-1.007

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5353	1.5353	1.3538	1.3538	2.3425	2.3425	2.3616	2.3616	2.3616	2.3616
C2	1.5353		2.5999	2.3381	2.3381	1.3378	3.7376	1.3390	1.3390	2.9789	2.9789
C3	1.5353	2.5999		2.3381	2.3381	3.7376	1.3378	2.9789	2.9789	1.3390	1.3390
F4	1.3538	2.3381	2.3381		2.2108	2.6994	2.6994	2.7365	3.5084	3.5084	2.7365
F5	1.3538	2.3381	2.3381	2.2108		2.6994	2.6994	3.5084	2.7365	2.7365	3.5084
F6	2.3425	1.3378	3.7376	2.6994	2.6994		4.6848	2.1802	2.1802	4.1848	4.1848
F7	2.3425	3.7376	1.3378	2.6994	2.6994	4.6848		4.1848	4.1848	2.1802	2.1802
F8	2.3616	1.3390	2.9789	2.7365	3.5084	2.1802	4.1848		2.1803	3.4888	2.7236
F9	2.3616	1.3390	2.9789	3.5084	2.7365	2.1802	4.1848	2.1803		2.7236	3.4888
F10	2.3616	2.9789	1.3390	3.5084	2.7365	4.1848	2.1802	3.4888	2.7236		2.1803
F11	2.3616	2.9789	1.3390	2.7365	3.5084	4.1848	2.1802	2.7236	3.4888	2.1803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.045	C1	C2	F8	110.310
C1	C2	F9	110.310	C1	C3	F7	109.045
C1	C3	F10	110.310	C1	C3	F11	110.310
C2	C1	C3	115.704	C2	C1	F4	107.890
C2	C1	F5	107.890	C3	C1	F4	107.890
C3	C1	F5	107.890	F4	C1	F5	109.479
F6	C2	F8	109.070	F6	C2	F9	109.070
F7	C3	F10	109.070	F7	C3	F11	109.070
F8	C2	F9	109.008	F10	C3	F11	109.008

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: QCISD/6-31G*

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 C3F8 (perfluoropropane)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)