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	hartrees
Energy at 0K	-572.331930
Energy at 298.15K	-572.335199
HF Energy	-572.073710
Nuclear repulsion energy	354.599479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3034	23.92
2	A'	1487	1415	8.90
3	A'	1345	1281	124.53
4	A'	1241	1181	176.54
5	A'	1129	1075	62.80
6	A'	868	827	48.33
7	A'	692	658	30.52
8	A'	543	517	21.56
9	A'	496	472	13.19
10	A'	349	332	0.08
11	A'	230	219	5.72
12	A"	1445	1375	19.75
13	A"	1285	1223	263.00
14	A"	1180	1123	47.69
15	A"	569	542	1.91
16	A"	396	377	2.24
17	A"	196	187	4.02
18	A"	75	72	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.592	0.000
C2	-0.612	0.730	0.000
F3	1.473	-0.422	0.000
F4	-0.240	-1.304	1.112
F5	-0.240	-1.304	-1.112
F6	-0.240	1.438	-1.132
F7	-0.240	1.438	1.132
H8	-1.683	0.556	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5124	1.3623	1.3684	1.3684	2.3520	2.3520	2.1386
C2	1.5124		2.3820	2.3479	2.3479	1.3854	1.3854	1.0853
F3	1.3623	2.3820		2.2242	2.2242	2.7696	2.7696	3.3038
F4	1.3684	2.3479	2.2242		2.2235	3.5424	2.7416	2.6032
F5	1.3684	2.3479	2.2242	2.2235		2.7416	3.5424	2.6032
F6	2.3520	1.3854	2.7696	3.5424	2.7416		2.2631	2.0352
F7	2.3520	1.3854	2.7696	2.7416	3.5424	2.2631		2.0352
H8	2.1386	1.0853	3.3038	2.6032	2.6032	2.0352	2.0352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.435	C1	C2	F7	108.435
C1	C2	H8	109.729	C2	C1	F3	111.808
C2	C1	F4	109.076	C2	C1	F5	109.076
F3	C1	F4	109.078	F3	C1	F5	109.078
F4	C1	F5	108.670	F6	C2	F7	109.526
F6	C2	H8	110.335	F7	C2	H8	110.335

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CF3CHF2 (pentafluoroethane)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)