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	hartrees
Energy at 0K	-911.407779
Energy at 298.15K	-911.411450
HF Energy	-909.172439
Nuclear repulsion energy	802.787200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1439	1360	4.20
2	A₁	1322	1248	336.86
3	A₁	1199	1132	143.06
4	A₁	799	755	2.24
5	A₁	679	641	3.53
6	A₁	552	521	7.84
7	A₁	387	366	0.05
8	A₁	324	306	0.43
9	A₁	161	152	0.66
10	A₂	1277	1206	0.00
11	A₂	576	544	0.00
12	A₂	355	335	0.00
13	A₂	225	212	0.00
14	A₂	34	32	0.00
15	B₁	1323	1250	547.79
16	B₁	1265	1194	44.40
17	B₁	634	599	0.99
18	B₁	470	444	2.53
19	B₁	216	204	3.04
20	B₁	95	89	0.04
21	B₂	1428	1349	116.89
22	B₂	1261	1191	62.12
23	B₂	1042	984	199.54
24	B₂	740	698	50.16
25	B₂	544	513	6.67
26	B₂	344	325	0.05
27	B₂	267	252	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.294	-0.234
C3	0.000	-1.294	-0.234
F4	1.095	0.000	1.358
F5	-1.095	0.000	1.358
F6	0.000	2.324	0.598
F7	0.000	-2.324	0.598
F8	1.080	1.353	-0.999
F9	-1.080	1.353	-0.999
F10	-1.080	-1.353	-0.999
F11	1.080	-1.353	-0.999

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5341	1.5341	1.3377	1.3377	2.3241	2.3241	2.3492	2.3492	2.3492	2.3492
C2	1.5341		2.5882	2.3259	2.3259	1.3243	3.7127	1.3244	1.3244	2.9593	2.9593
C3	1.5341	2.5882		2.3259	2.3259	3.7127	1.3243	2.9593	2.9593	1.3244	1.3244
F4	1.3377	2.3259	2.3259		2.1892	2.6790	2.6790	2.7178	3.4807	3.4807	2.7178
F5	1.3377	2.3259	2.3259	2.1892		2.6790	2.6790	3.4807	2.7178	2.7178	3.4807
F6	2.3241	1.3243	3.7127	2.6790	2.6790		4.6481	2.1586	2.1586	4.1517	4.1517
F7	2.3241	3.7127	1.3243	2.6790	2.6790	4.6481		4.1517	4.1517	2.1586	2.1586
F8	2.3492	1.3244	2.9593	2.7178	3.4807	2.1586	4.1517		2.1600	3.4623	2.7058
F9	2.3492	1.3244	2.9593	3.4807	2.7178	2.1586	4.1517	2.1600		2.7058	3.4623
F10	2.3492	2.9593	1.3244	3.4807	2.7178	4.1517	2.1586	3.4623	2.7058		2.1600
F11	2.3492	2.9593	1.3244	2.7178	3.4807	4.1517	2.1586	2.7058	3.4623	2.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.570	C1	C2	F8	110.325
C1	C2	F9	110.325	C1	C3	F7	108.570
C1	C3	F10	110.325	C1	C3	F11	110.325
C2	C1	C3	115.042	C2	C1	F4	107.980
C2	C1	F5	107.980	C3	C1	F4	107.980
C3	C1	F5	107.980	F4	C1	F5	109.824
F6	C2	F8	109.164	F6	C2	F9	109.164
F7	C3	F10	109.164	F7	C3	F11	109.164
F8	C2	F9	109.267	F10	C3	F11	109.267

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)