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	hartrees
Energy at 0K	-910.062156
Energy at 298.15K	-910.065318
HF Energy	-908.792758
Nuclear repulsion energy	774.931277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1321	1273	30.85
2	A₁	1274	1228	205.49
3	A₁	1124	1083	172.96
4	A₁	717	691	3.54
5	A₁	624	601	3.67
6	A₁	494	476	19.30
7	A₁	356	343	0.12
8	A₁	308	297	0.75
9	A₁	152	147	1.57
10	A₂	1219	1175	0.00
11	A₂	524	505	0.00
12	A₂	330	318	0.00
13	A₂	220	212	0.00
14	A₂	22	21	0.00
15	B₁	1255	1210	346.47
16	B₁	1198	1154	112.50
17	B₁	590	569	2.11
18	B₁	428	413	7.93
19	B₁	212	204	7.13
20	B₁	86	83	0.04
21	B₂	1350	1301	100.55
22	B₂	1203	1159	37.01
23	B₂	976	940	215.07
24	B₂	662	638	62.15
25	B₂	489	471	14.75
26	B₂	328	316	0.03
27	B₂	263	253	4.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.577
C2	0.000	1.317	-0.230
C3	0.000	-1.317	-0.230
F4	1.145	0.000	1.391
F5	-1.145	0.000	1.391
F6	0.000	2.396	0.642
F7	0.000	-2.396	0.642
F8	1.130	1.390	-1.036
F9	-1.130	1.390	-1.036
F10	-1.130	-1.390	-1.036
F11	1.130	-1.390	-1.036

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5445	1.5445	1.4054	1.4054	2.3968	2.3968	2.4107	2.4107	2.4107	2.4107
C2	1.5445		2.6342	2.3823	2.3823	1.3873	3.8141	1.3900	1.3900	3.0425	3.0425
C3	1.5445	2.6342		2.3823	2.3823	3.8141	1.3873	3.0425	3.0425	1.3900	1.3900
F4	1.4054	2.3823	2.3823		2.2906	2.7592	2.7592	2.7976	3.6059	3.6059	2.7976
F5	1.4054	2.3823	2.3823	2.2906		2.7592	2.7592	3.6059	2.7976	2.7976	3.6059
F6	2.3968	1.3873	3.8141	2.7592	2.7592		4.7917	2.2595	2.2595	4.2929	4.2929
F7	2.3968	3.8141	1.3873	2.7592	2.7592	4.7917		4.2929	4.2929	2.2595	2.2595
F8	2.4107	1.3900	3.0425	2.7976	3.6059	2.2595	4.2929		2.2597	3.5831	2.7807
F9	2.4107	1.3900	3.0425	3.6059	2.7976	2.2595	4.2929	2.2597		2.7807	3.5831
F10	2.4107	3.0425	1.3900	3.6059	2.7976	4.2929	2.2595	3.5831	2.7807		2.2597
F11	2.4107	3.0425	1.3900	2.7976	3.6059	4.2929	2.2595	2.7807	3.5831	2.2597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.553	C1	C2	F8	110.359
C1	C2	F9	110.359	C1	C3	F7	109.553
C1	C3	F10	110.359	C1	C3	F11	110.359
C2	C1	C3	117.024	C2	C1	F4	107.622
C2	C1	F5	107.622	C3	C1	F4	107.622
C3	C1	F5	107.622	F4	C1	F5	109.155
F6	C2	F8	108.890	F6	C2	F9	108.890
F7	C3	F10	108.890	F7	C3	F11	108.890
F8	C2	F9	108.753	F10	C3	F11	108.753

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)