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	hartrees
Energy at 0K	-910.860349
Energy at 298.15K	-910.863888
HF Energy	-909.117878
Nuclear repulsion energy	796.114369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1436	1345	6.74
2	A₁	1323	1239	334.32
3	A₁	1191	1115	185.77
4	A₁	783	734	2.44
5	A₁	669	627	3.67
6	A₁	537	503	9.46
7	A₁	380	356	0.07
8	A₁	322	302	0.44
9	A₁	158	148	0.86
10	A₂	1270	1190	0.00
11	A₂	564	528	0.00
12	A₂	350	328	0.00
13	A₂	224	210	0.00
14	A₂	20	19	0.00
15	B₁	1316	1232	545.08
16	B₁	1259	1179	94.54
17	B₁	627	587	1.02
18	B₁	461	431	3.29
19	B₁	216	202	3.95
20	B₁	90	84	0.05
21	B₂	1440	1348	123.04
22	B₂	1257	1177	61.12
23	B₂	1036	970	230.15
24	B₂	725	679	51.98
25	B₂	531	497	8.24
26	B₂	342	320	0.03
27	B₂	268	251	3.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.585
C2	0.000	1.298	-0.232
C3	0.000	-1.298	-0.232
F4	1.108	0.000	1.366
F5	-1.108	0.000	1.366
F6	0.000	2.342	0.608
F7	0.000	-2.342	0.608
F8	1.092	1.359	-1.007
F9	-1.092	1.359	-1.007
F10	-1.092	-1.359	-1.007
F11	1.092	-1.359	-1.007

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5331	1.5331	1.3557	1.3557	2.3420	2.3420	2.3609	2.3609	2.3609	2.3609
C2	1.5331		2.5953	2.3376	2.3376	1.3398	3.7351	1.3410	1.3410	2.9750	2.9750
C3	1.5331	2.5953		2.3376	2.3376	3.7351	1.3398	2.9750	2.9750	1.3410	1.3410
F4	1.3557	2.3376	2.3376		2.2155	2.6994	2.6994	2.7351	3.5100	3.5100	2.7351
F5	1.3557	2.3376	2.3376	2.2155		2.6994	2.6994	3.5100	2.7351	2.7351	3.5100
F6	2.3420	1.3398	3.7351	2.6994	2.6994		4.6838	2.1837	2.1837	4.1828	4.1828
F7	2.3420	3.7351	1.3398	2.6994	2.6994	4.6838		4.1828	4.1828	2.1837	2.1837
F8	2.3609	1.3410	2.9750	2.7351	3.5100	2.1837	4.1828		2.1841	3.4863	2.7173
F9	2.3609	1.3410	2.9750	3.5100	2.7351	2.1837	4.1828	2.1841		2.7173	3.4863
F10	2.3609	2.9750	1.3410	3.5100	2.7351	4.1828	2.1837	3.4863	2.7173		2.1841
F11	2.3609	2.9750	1.3410	2.7351	3.5100	4.1828	2.1837	2.7173	3.4863	2.1841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.028	C1	C2	F8	110.279
C1	C2	F9	110.279	C1	C3	F7	109.028
C1	C3	F10	110.279	C1	C3	F11	110.279
C2	C1	C3	115.648	C2	C1	F4	107.878
C2	C1	F5	107.878	C3	C1	F4	107.878
C3	C1	F5	107.878	F4	C1	F5	109.594
F6	C2	F8	109.089	F6	C2	F9	109.089
F7	C3	F10	109.089	F7	C3	F11	109.089
F8	C2	F9	109.051	F10	C3	F11	109.051

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)