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	hartrees
Energy at 0K	-910.858697
Energy at 298.15K	-910.862302
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	1382	9.56
2	A₁	1361	1288	327.67
3	A₁	1213	1148	194.19
4	A₁	796	754	2.88
5	A₁	678	642	3.58
6	A₁	546	516	11.20
7	A₁	386	365	0.09
8	A₁	325	308	0.50
9	A₁	158	150	0.93
10	A₂	1312	1241	0.00
11	A₂	572	542	0.00
12	A₂	356	337	0.00
13	A₂	227	215	0.00
14	A₂	23	21	0.00
15	B₁	1354	1281	511.13
16	B₁	1299	1230	126.39
17	B₁	635	601	1.45
18	B₁	468	443	3.88
19	B₁	218	206	4.26
20	B₁	90	85	0.04
21	B₂	1458	1380	131.24
22	B₂	1296	1227	57.14
23	B₂	1051	995	231.92
24	B₂	736	696	56.61
25	B₂	539	510	9.28
26	B₂	345	327	0.02
27	B₂	272	258	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)