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	hartrees
Energy at 0K	-896.833967
Energy at 298.15K
HF Energy	-896.541820
Nuclear repulsion energy	762.364118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1428	1269	76.61
2	A₁	1317	1171	12.76
3	A₁	1186	1054	74.59
4	A₁	757	673	3.89
5	A₁	619	550	5.49
6	A₁	494	439	13.81
7	A₁	339	301	0.00
8	A₁	281	249	0.40
9	A₁	105	93	0.47
10	A₂	1389	1235	0.00
11	A₂	514	457	0.00
12	A₂	315	280	0.00
13	A₂	178	159	0.00
14	A₂	21i	18i	0.00
15	B₁	1433	1274	35.45
16	B₁	1366	1214	141.17
17	B₁	579	515	2.74
18	B₁	412	367	4.77
19	B₁	156	138	2.08
20	B₁	30	27	0.01
21	B₂	1380	1226	47.13
22	B₂	1259	1119	52.66
23	B₂	993	882	63.75
24	B₂	669	595	55.75
25	B₂	482	428	8.57
26	B₂	300	266	0.01
27	B₂	220	195	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.697
C2	0.000	1.347	-0.250
C3	0.000	-1.347	-0.250
F4	1.134	0.000	1.510
F5	-1.134	0.000	1.510
F6	0.000	2.489	0.542
F7	0.000	-2.489	0.542
F8	1.130	1.365	-1.059
F9	-1.130	1.365	-1.059
F10	-1.130	-1.365	-1.059
F11	1.130	-1.365	-1.059

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.6467	1.6467	1.3953	1.3953	2.4941	2.4941	2.4946	2.4946	2.4946	2.4946
C2	1.6467		2.6947	2.4896	2.4896	1.3901	3.9177	1.3898	1.3898	3.0480	3.0480
C3	1.6467	2.6947		2.4896	2.4896	3.9177	1.3901	3.0480	3.0480	1.3898	1.3898
F4	1.3953	2.4896	2.4896		2.2676	2.9014	2.9014	2.9090	3.6861	3.6861	2.9090
F5	1.3953	2.4896	2.4896	2.2676		2.9014	2.9014	3.6861	2.9090	2.9090	3.6861
F6	2.4941	1.3901	3.9177	2.9014	2.9014		4.9787	2.2592	2.2592	4.3244	4.3244
F7	2.4941	3.9177	1.3901	2.9014	2.9014	4.9787		4.3244	4.3244	2.2592	2.2592
F8	2.4946	1.3898	3.0480	2.9090	3.6861	2.2592	4.3244		2.2602	3.5448	2.7308
F9	2.4946	1.3898	3.0480	3.6861	2.9090	2.2592	4.3244	2.2602		2.7308	3.5448
F10	2.4946	3.0480	1.3898	3.6861	2.9090	4.3244	2.2592	3.5448	2.7308		2.2602
F11	2.4946	3.0480	1.3898	2.9090	3.6861	4.3244	2.2592	2.7308	3.5448	2.2602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.146	C1	C2	F8	110.193
C1	C2	F9	110.193	C1	C3	F7	110.146
C1	C3	F10	110.193	C1	C3	F11	110.193
C2	C1	C3	109.811	C2	C1	F4	109.577
C2	C1	F5	109.577	C3	C1	F4	109.577
C3	C1	F5	109.577	F4	C1	F5	108.704
F6	C2	F8	108.728	F6	C2	F9	108.728
F7	C3	F10	108.728	F7	C3	F11	108.728
F8	C2	F9	108.812	F10	C3	F11	108.812

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)