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	hartrees
Energy at 0K	-574.659650
Energy at 298.15K	-574.663018
HF Energy	-573.511215
Nuclear repulsion energy	358.518602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3009
2	A'	1500	1439
3	A'	1365	1309
4	A'	1247	1197
5	A'	1162	1115
6	A'	889	853
7	A'	723	693
8	A'	570	547
9	A'	515	494
10	A'	362	347
11	A'	243	234
12	A"	1428	1370
13	A"	1284	1232
14	A"	1194	1146
15	A"	584	560
16	A"	414	397
17	A"	207	199
18	A"	74	71

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.597	0.000
C2	-0.611	0.742	0.000
F3	1.446	-0.425	0.000
F4	-0.232	-1.302	1.093
F5	-0.232	-1.302	-1.093
F6	-0.232	1.432	-1.109
F7	-0.232	1.432	1.109
H8	-1.698	0.606	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5241	1.3399	1.3465	1.3465	2.3388	2.3388	2.1783
C2	1.5241		2.3648	2.3480	2.3480	1.3601	1.3601	1.0957
F3	1.3399	2.3648		2.1861	2.1861	2.7375	2.7375	3.3091
F4	1.3465	2.3480	2.1861		2.1863	3.5102	2.7337	2.6430
F5	1.3465	2.3480	2.1861	2.1863		2.7337	3.5102	2.6430
F6	2.3388	1.3601	2.7375	3.5102	2.7337		2.2176	2.0152
F7	2.3388	1.3601	2.7375	2.7337	3.5102	2.2176		2.0152
H8	2.1783	1.0957	3.3091	2.6430	2.6430	2.0152	2.0152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.233	C1	C2	F7	108.233
C1	C2	H8	111.457	C2	C1	F3	111.154
C2	C1	F4	109.606	C2	C1	F5	109.606
F3	C1	F4	108.933	F3	C1	F5	108.933
F4	C1	F5	108.562	F6	C2	F7	109.215
F6	C2	H8	109.825	F7	C2	H8	109.825

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD(T)/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 CF3CHF2 (pentafluoroethane)

using model chemistry: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)