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	hartrees
Energy at 0K	-208.253990
Energy at 298.15K	-208.256806
HF Energy	-207.061918
Nuclear repulsion energy	427.420158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1249	1219	12.45
2	A₁	1134	1107	264.97
3	A₁	1037	1012	188.67
4	A₁	674	658	1.62
5	A₁	587	573	5.51
6	A₁	467	455	14.00
7	A₁	339	331	0.02
8	A₁	291	284	0.77
9	A₁	140	137	1.70
10	A₂	1078	1052	0.00
11	A₂	495	483	0.00
12	A₂	314	307	0.00
13	A₂	212	207	0.00
14	A₂	18	18	0.00
15	B₁	1122	1095	437.47
16	B₁	1084	1058	112.41
17	B₁	557	543	0.84
18	B₁	405	395	6.53
19	B₁	205	200	6.88
20	B₁	81	79	0.02
21	B₂	1287	1257	90.61
22	B₂	1067	1041	44.01
23	B₂	910	888	245.72
24	B₂	629	613	50.75
25	B₂	463	452	11.64
26	B₂	312	305	0.05
27	B₂	253	247	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.345	-0.236
C3	0.000	-1.345	-0.236
F4	1.156	0.000	1.418
F5	-1.156	0.000	1.418
F6	0.000	2.437	0.649
F7	0.000	-2.437	0.649
F8	1.143	1.431	-1.053
F9	-1.143	1.431	-1.053
F10	-1.143	-1.431	-1.053
F11	1.143	-1.431	-1.053

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5770	1.5770	1.4237	1.4237	2.4382	2.4382	2.4588	2.4588	2.4588	2.4588
C2	1.5770		2.6900	2.4251	2.4251	1.4059	3.8846	1.4079	1.4079	3.1117	3.1117
C3	1.5770	2.6900		2.4251	2.4251	3.8846	1.4059	3.1117	3.1117	1.4079	1.4079
F4	1.4237	2.4251	2.4251		2.3126	2.8052	2.8052	2.8554	3.6663	3.6663	2.8554
F5	1.4237	2.4251	2.4251	2.3126		2.8052	2.8052	3.6663	2.8554	2.8554	3.6663
F6	2.4382	1.4059	3.8846	2.8052	2.8052		4.8748	2.2838	2.2838	4.3784	4.3784
F7	2.4382	3.8846	1.4059	2.8052	2.8052	4.8748		4.3784	4.3784	2.2838	2.2838
F8	2.4588	1.4079	3.1117	2.8554	3.6663	2.2838	4.3784		2.2868	3.6639	2.8626
F9	2.4588	1.4079	3.1117	3.6663	2.8554	2.2838	4.3784	2.2868		2.8626	3.6639
F10	2.4588	3.1117	1.4079	3.6663	2.8554	4.3784	2.2838	3.6639	2.8626		2.2868
F11	2.4588	3.1117	1.4079	2.8554	3.6663	4.3784	2.2838	2.8626	3.6639	2.2868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.518	C1	C2	F8	110.804
C1	C2	F9	110.804	C1	C3	F7	109.518
C1	C3	F10	110.804	C1	C3	F11	110.804
C2	C1	C3	117.060	C2	C1	F4	107.732
C2	C1	F5	107.732	C3	C1	F4	107.732
C3	C1	F5	107.732	F4	C1	F5	108.619
F6	C2	F8	108.519	F6	C2	F9	108.519
F7	C3	F10	108.519	F7	C3	F11	108.519
F8	C2	F9	108.615	F10	C3	F11	108.615

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)