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	hartrees
Energy at 0K	-575.075011
Energy at 298.15K	-575.078559
HF Energy	-573.669781
Nuclear repulsion energy	361.813441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	21.91
2	A'	1522	1522	3.41
3	A'	1385	1385	198.14
4	A'	1274	1274	198.47
5	A'	1197	1197	137.91
6	A'	907	907	50.93
7	A'	751	751	39.27
8	A'	600	600	16.88
9	A'	541	541	10.63
10	A'	376	376	0.08
11	A'	253	253	4.78
12	A"	1444	1444	18.19
13	A"	1314	1314	376.36
14	A"	1232	1232	115.70
15	A"	606	606	1.26
16	A"	433	433	1.46
17	A"	219	219	3.08
18	A"	81	81	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.600	0.000
C2	-0.600	0.746	0.000
F3	1.433	-0.443	0.000
F4	-0.231	-1.291	1.079
F5	-0.231	-1.291	-1.079
F6	-0.231	1.430	-1.093
F7	-0.231	1.430	1.093
H8	-1.682	0.607	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5260	1.3226	1.3283	1.3283	2.3321	2.3321	2.1690
C2	1.5260		2.3544	2.3340	2.3340	1.3409	1.3409	1.0914
F3	1.3226	2.3544		2.1571	2.1571	2.7332	2.7332	3.2873
F4	1.3283	2.3340	2.1571		2.1576	3.4813	2.7209	2.6214
F5	1.3283	2.3340	2.1571	2.1576		2.7209	3.4813	2.6214
F6	2.3321	1.3409	2.7332	3.4813	2.7209		2.1858	1.9940
F7	2.3321	1.3409	2.7332	2.7209	3.4813	2.1858		1.9940
H8	2.1690	1.0914	3.2873	2.6214	2.6214	1.9940	1.9940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.694	C1	C2	F7	108.694
C1	C2	H8	110.834	C2	C1	F3	111.287
C2	C1	F4	109.519	C2	C1	F5	109.519
F3	C1	F4	108.927	F3	C1	F5	108.927
F4	C1	F5	108.616	F6	C2	F7	109.183
F6	C2	H8	109.701	F7	C2	H8	109.701

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)