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	hartrees
Energy at 0K	-910.858697
Energy at 298.15K	-910.862332
HF Energy	-909.120246
Nuclear repulsion energy	797.630789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1460	1369	9.56
2	A₁	1361	1276	327.67
3	A₁	1213	1137	194.19
4	A₁	796	746	2.88
5	A₁	678	636	3.58
6	A₁	546	511	11.20
7	A₁	386	361	0.09
8	A₁	325	305	0.50
9	A₁	158	149	0.93
10	A₂	1312	1230	0.00
11	A₂	572	537	0.00
12	A₂	356	334	0.00
13	A₂	227	213	0.00
14	A₂	23	21	0.00
15	B₁	1354	1269	511.13
16	B₁	1299	1218	126.39
17	B₁	635	595	1.45
18	B₁	468	439	3.88
19	B₁	218	204	4.26
20	B₁	90	84	0.04
21	B₂	1458	1367	131.24
22	B₂	1296	1216	57.14
23	B₂	1051	986	231.92
24	B₂	736	690	56.61
25	B₂	539	505	9.28
26	B₂	345	324	0.02
27	B₂	272	255	3.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.585
C2	0.000	1.300	-0.232
C3	0.000	-1.300	-0.232
F4	1.103	0.000	1.364
F5	-1.103	0.000	1.364
F6	0.000	2.338	0.606
F7	0.000	-2.338	0.606
F8	1.088	1.362	-1.005
F9	-1.088	1.362	-1.005
F10	-1.088	-1.362	-1.005
F11	1.088	-1.362	-1.005

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5351	1.5351	1.3504	1.3504	2.3386	2.3386	2.3591	2.3591	2.3591	2.3591
C2	1.5351		2.5994	2.3352	2.3352	1.3347	3.7335	1.3358	1.3358	2.9774	2.9774
C3	1.5351	2.5994		2.3352	2.3352	3.7335	1.3347	2.9774	2.9774	1.3358	1.3358
F4	1.3504	2.3352	2.3352		2.2060	2.6943	2.6943	2.7325	3.5022	3.5022	2.7325
F5	1.3504	2.3352	2.3352	2.2060		2.6943	2.6943	3.5022	2.7325	2.7325	3.5022
F6	2.3386	1.3347	3.7335	2.6943	2.6943		4.6769	2.1753	2.1753	4.1798	4.1798
F7	2.3386	3.7335	1.3347	2.6943	2.6943	4.6769		4.1798	4.1798	2.1753	2.1753
F8	2.3591	1.3358	2.9774	2.7325	3.5022	2.1753	4.1798		2.1756	3.4861	2.7239
F9	2.3591	1.3358	2.9774	3.5022	2.7325	2.1753	4.1798	2.1756		2.7239	3.4861
F10	2.3591	2.9774	1.3358	3.5022	2.7325	4.1798	2.1753	3.4861	2.7239		2.1756
F11	2.3591	2.9774	1.3358	2.7325	3.5022	4.1798	2.1753	2.7239	3.4861	2.1756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.950	C1	C2	F8	110.322
C1	C2	F9	110.322	C1	C3	F7	108.950
C1	C3	F10	110.322	C1	C3	F11	110.322
C2	C1	C3	115.697	C2	C1	F4	107.880
C2	C1	F5	107.880	C3	C1	F4	107.880
C3	C1	F5	107.880	F4	C1	F5	109.530
F6	C2	F8	109.088	F6	C2	F9	109.088
F7	C3	F10	109.088	F7	C3	F11	109.088
F8	C2	F9	109.046	F10	C3	F11	109.046

All results from a given calculation for C₃F₈ (perfluoropropane)

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

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)