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	hartrees
Energy at 0K	-574.121584
Energy at 298.15K	-574.124767
HF Energy	-573.314340
Nuclear repulsion energy	348.649105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3043	7.95
2	A'	1442	1389	2.47
3	A'	1321	1273	105.49
4	A'	1194	1151	172.80
5	A'	1081	1041	84.94
6	A'	844	814	66.31
7	A'	669	645	34.04
8	A'	528	509	24.67
9	A'	475	458	16.03
10	A'	343	331	0.12
11	A'	239	230	6.32
12	A"	1398	1347	6.95
13	A"	1220	1176	243.11
14	A"	1127	1086	85.51
15	A"	549	529	2.01
16	A"	387	373	3.20
17	A"	204	197	4.42
18	A"	75	73	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.596	0.000
C2	-0.627	0.739	0.000
F3	1.496	-0.426	0.000
F4	-0.242	-1.331	1.130
F5	-0.242	-1.331	-1.130
F6	-0.242	1.463	-1.148
F7	-0.242	1.463	1.148
H8	-1.712	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5296	1.3878	1.3953	1.3953	2.3847	2.3847	2.1895
C2	1.5296		2.4221	2.3899	2.3899	1.4105	1.4105	1.0934
F3	1.3878	2.4221		2.2619	2.2619	2.8120	2.8120	3.3698
F4	1.3953	2.3899	2.2619		2.2595	3.6047	2.7939	2.6805
F5	1.3953	2.3899	2.2619	2.2595		2.7939	3.6047	2.6805
F6	2.3847	1.4105	2.8120	3.6047	2.7939		2.2961	2.0532
F7	2.3847	1.4105	2.8120	2.7939	3.6047	2.2961		2.0532
H8	2.1895	1.0934	3.3698	2.6805	2.6805	2.0532	2.0532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.338	C1	C2	F7	108.338
C1	C2	H8	112.104	C2	C1	F3	112.152
C2	C1	F4	109.505	C2	C1	F5	109.505
F3	C1	F4	108.728	F3	C1	F5	108.728
F4	C1	F5	108.132	F6	C2	F7	108.965
F6	C2	H8	109.517	F7	C2	H8	109.517

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD/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/6-31G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)