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	hartrees
Energy at 0K	-910.926403
Energy at 298.15K	-910.929889
HF Energy	-909.144701
Nuclear repulsion energy	792.185604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1397	1314	7.40
2	A₁	1274	1198	379.98
3	A₁	1157	1088	176.34
4	A₁	773	727	2.10
5	A₁	660	621	4.55
6	A₁	531	499	8.59
7	A₁	377	355	0.03
8	A₁	316	297	0.43
9	A₁	151	142	0.76
10	A₂	1223	1151	0.00
11	A₂	557	524	0.00
12	A₂	348	327	0.00
13	A₂	227	213	0.00
14	A₂	32	30	0.00
15	B₁	1272	1197	603.89
16	B₁	1218	1145	88.84
17	B₁	618	581	0.79
18	B₁	455	428	3.30
19	B₁	216	203	3.41
20	B₁	89	84	0.02
21	B₂	1397	1314	119.95
22	B₂	1211	1139	67.57
23	B₂	1011	951	236.04
24	B₂	718	675	51.62
25	B₂	525	494	7.79
26	B₂	338	318	0.04
27	B₂	270	254	3.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.581
C2	0.000	1.311	-0.234
C3	0.000	-1.311	-0.234
F4	1.108	0.000	1.367
F5	-1.108	0.000	1.367
F6	0.000	2.350	0.618
F7	0.000	-2.350	0.618
F8	1.094	1.384	-1.011
F9	-1.094	1.384	-1.011
F10	-1.094	-1.384	-1.011
F11	1.094	-1.384	-1.011

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5443	1.5443	1.3582	1.3582	2.3504	2.3504	2.3766	2.3766	2.3766	2.3766
C2	1.5443		2.6229	2.3474	2.3474	1.3433	3.7593	1.3439	1.3439	3.0111	3.0111
C3	1.5443	2.6229		2.3474	2.3474	3.7593	1.3433	3.0111	3.0111	1.3439	1.3439
F4	1.3582	2.3474	2.3474		2.2162	2.7041	2.7041	2.7511	3.5241	3.5241	2.7511
F5	1.3582	2.3474	2.3474	2.2162		2.7041	2.7041	3.5241	2.7511	2.7511	3.5241
F6	2.3504	1.3433	3.7593	2.7041	2.7041		4.7003	2.1870	2.1870	4.2183	4.2183
F7	2.3504	3.7593	1.3433	2.7041	2.7041	4.7003		4.2183	4.2183	2.1870	2.1870
F8	2.3766	1.3439	3.0111	2.7511	3.5241	2.1870	4.2183		2.1887	3.5288	2.7681
F9	2.3766	1.3439	3.0111	3.5241	2.7511	2.1870	4.2183	2.1887		2.7681	3.5288
F10	2.3766	3.0111	1.3439	3.5241	2.7511	4.2183	2.1870	3.5288	2.7681		2.1887
F11	2.3766	3.0111	1.3439	2.7511	3.5241	4.2183	2.1870	2.7681	3.5288	2.1887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.772	C1	C2	F8	110.552
C1	C2	F9	110.552	C1	C3	F7	108.772
C1	C3	F10	110.552	C1	C3	F11	110.552
C2	C1	C3	116.251	C2	C1	F4	107.779
C2	C1	F5	107.779	C3	C1	F4	107.779
C3	C1	F5	107.779	F4	C1	F5	109.346
F6	C2	F8	108.947	F6	C2	F9	108.947
F7	C3	F10	108.947	F7	C3	F11	108.947
F8	C2	F9	109.034	F10	C3	F11	109.034

All results from a given calculation for C₃F₈ (perfluoropropane)

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

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)