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	hartrees
Energy at 0K	-904.205084
Energy at 298.15K
HF Energy	-904.205084
Nuclear repulsion energy	802.734215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1502	1356	174.85
2	A₁	1485	1341	127.98
3	A₁	1285	1160	217.32
4	A₁	811	732	7.98
5	A₁	704	636	2.71
6	A₁	559	505	27.38
7	A₁	394	355	0.57
8	A₁	338	305	0.88
9	A₁	164	148	2.20
10	A₂	1429	1290	0.00
11	A₂	588	531	0.00
12	A₂	365	329	0.00
13	A₂	227	205	0.00
14	A₂	36i	32i	0.00
15	B₁	1464	1321	552.62
16	B₁	1377	1243	19.55
17	B₁	651	588	5.93
18	B₁	479	432	9.32
19	B₁	214	193	9.35
20	B₁	86	78	0.09
21	B₂	1480	1336	191.00
22	B₂	1403	1267	42.35
23	B₂	1097	990	229.41
24	B₂	747	674	81.94
25	B₂	550	496	20.20
26	B₂	354	319	0.00
27	B₂	278	251	6.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.267	-0.226
C3	0.000	-1.267	-0.226
F4	1.109	0.000	1.370
F5	-1.109	0.000	1.370
F6	0.000	2.326	0.590
F7	0.000	-2.326	0.590
F8	1.089	1.313	-1.003
F9	-1.089	1.313	-1.003
F10	-1.089	-1.313	-1.003
F11	1.089	-1.313	-1.003

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5070	1.5070	1.3561	1.3561	2.3260	2.3260	2.3339	2.3339	2.3339	2.3339
C2	1.5070		2.5333	2.3202	2.3202	1.3376	3.6843	1.3381	1.3381	2.9058	2.9058
C3	1.5070	2.5333		2.3202	2.3202	3.6843	1.3376	2.9058	2.9058	1.3381	1.3381
F4	1.3561	2.3202	2.3202		2.2188	2.6924	2.6924	2.7119	3.4909	3.4909	2.7119
F5	1.3561	2.3202	2.3202	2.2188		2.6924	2.6924	3.4909	2.7119	2.7119	3.4909
F6	2.3260	1.3376	3.6843	2.6924	2.6924		4.6520	2.1793	2.1793	4.1191	4.1191
F7	2.3260	3.6843	1.3376	2.6924	2.6924	4.6520		4.1191	4.1191	2.1793	2.1793
F8	2.3339	1.3381	2.9058	2.7119	3.4909	2.1793	4.1191		2.1777	3.4117	2.6263
F9	2.3339	1.3381	2.9058	3.4909	2.7119	2.1793	4.1191	2.1777		2.6263	3.4117
F10	2.3339	2.9058	1.3381	3.4909	2.7119	4.1191	2.1793	3.4117	2.6263		2.1777
F11	2.3339	2.9058	1.3381	2.7119	3.4909	4.1191	2.1793	2.6263	3.4117	2.1777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.570	C1	C2	F8	110.091
C1	C2	F9	110.091	C1	C3	F7	109.570
C1	C3	F10	110.091	C1	C3	F11	110.091
C2	C1	C3	114.394	C2	C1	F4	108.153
C2	C1	F5	108.153	C3	C1	F4	108.153
C3	C1	F5	108.153	F4	C1	F5	109.788
F6	C2	F8	109.070	F6	C2	F9	109.070
F7	C3	F10	109.070	F7	C3	F11	109.070
F8	C2	F9	108.923	F10	C3	F11	108.923

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: HF/3-21G*

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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Number	Element	Mulliken
1	C	0.528
2	C	1.186
3	C	1.186
4	F	-0.357
5	F	-0.357
6	F	-0.364
7	F	-0.364
8	F	-0.365
9	F	-0.365
10	F	-0.365
11	F	-0.365

<r²>	359.575
(<r²>)^1/2	18.962

All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)