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	hartrees
Energy at 0K	-575.481309
Energy at 298.15K	-575.474268
HF Energy	-573.495122
Nuclear repulsion energy	365.010126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3330	30.71
2	A'	1626	1626	3.09
3	A'	1471	1471	244.15
4	A'	1353	1353	226.55
5	A'	1258	1258	182.57
6	A'	956	956	61.53
7	A'	794	794	48.18
8	A'	634	634	19.79
9	A'	573	573	13.60
10	A'	394	394	0.17
11	A'	261	261	5.81
12	A"	1541	1541	27.23
13	A"	1397	1397	431.31
14	A"	1300	1300	146.24
15	A"	642	642	1.90
16	A"	458	458	1.72
17	A"	225	225	3.81
18	A"	79	79	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-0.598	0.000
C2	-0.597	0.746	0.000
F3	1.418	-0.450	0.000
F4	-0.228	-1.284	1.065
F5	-0.228	-1.284	-1.065
F6	-0.228	1.426	-1.079
F7	-0.228	1.426	1.079
H8	-1.670	0.617	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5223	1.3081	1.3138	1.3138	2.3195	2.3195	2.1618
C2	1.5223		2.3428	2.3221	2.3221	1.3277	1.3277	1.0810
F3	1.3081	2.3428		2.1312	2.1312	2.7188	2.7188	3.2669
F4	1.3138	2.3221	2.1312		2.1305	3.4558	2.7098	2.6127
F5	1.3138	2.3221	2.1312	2.1305		2.7098	3.4558	2.6127
F6	2.3195	1.3277	2.7188	3.4558	2.7098		2.1589	1.9743
F7	2.3195	1.3277	2.7188	2.7098	3.4558	2.1589		1.9743
H8	2.1618	1.0810	3.2669	2.6127	2.6127	1.9743	1.9743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.756	C1	C2	F7	108.756
C1	C2	H8	111.151	C2	C1	F3	111.508
C2	C1	F4	109.705	C2	C1	F5	109.705
F3	C1	F4	108.753	F3	C1	F5	108.753
F4	C1	F5	108.353	F6	C2	F7	108.783
F6	C2	H8	109.675	F7	C2	H8	109.675

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)