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	hartrees
Energy at 0K	-575.698205
Energy at 298.15K	-575.701626
HF Energy	-575.231562
Nuclear repulsion energy	361.527029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3118	25.86
2	A'	1475	1475	0.99
3	A'	1343	1343	149.21
4	A'	1233	1233	181.29
5	A'	1170	1170	101.13
6	A'	888	888	40.36
7	A'	734	734	31.34
8	A'	584	584	13.57
9	A'	527	527	6.98
10	A'	365	365	0.03
11	A'	242	242	3.38
12	A"	1411	1411	13.08
13	A"	1263	1263	333.33
14	A"	1187	1187	79.92
15	A"	591	591	0.70
16	A"	419	419	0.93
17	A"	206	206	2.05
18	A"	73	73	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-0.601	0.000
C2	-0.604	0.746	0.000
F3	1.432	-0.431	0.000
F4	-0.230	-1.294	1.081
F5	-0.230	-1.294	-1.081
F6	-0.230	1.427	-1.095
F7	-0.230	1.427	1.095
H8	-1.687	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5281	1.3252	1.3305	1.3305	2.3305	2.3305	2.1709
C2	1.5281		2.3516	2.3387	2.3387	1.3422	1.3422	1.0928
F3	1.3252	2.3516		2.1625	2.1625	2.7228	2.7228	3.2870
F4	1.3305	2.3387	2.1625		2.1626	3.4837	2.7204	2.6264
F5	1.3305	2.3387	2.1625	2.1626		2.7204	3.4837	2.6264
F6	2.3305	1.3422	2.7228	3.4837	2.7204		2.1899	1.9992
F7	2.3305	1.3422	2.7228	2.7204	3.4837	2.1899		1.9992
H8	2.1709	1.0928	3.2870	2.6264	2.6264	1.9992	1.9992

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)