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	hartrees
Energy at 0K	-475.835486
Energy at 298.15K	-475.839479
HF Energy	-474.709772
Nuclear repulsion energy	264.534644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3152	3152	0.00
2	A_g	1490	1490	0.00
3	A_g	1180	1180	0.00
4	A_g	1113	1113	0.00
5	A_g	619	619	0.00
6	A_g	360	360	0.00
7	A_u	1352	1352	31.15
8	A_u	1159	1159	393.98
9	A_u	206	206	2.10
10	A_u	88	88	2.50
11	B_g	1383	1383	0.00
12	B_g	1124	1124	0.00
13	B_g	484	484	0.00
14	B_u	3160	3160	28.69
15	B_u	1320	1320	25.96
16	B_u	1133	1133	217.32
17	B_u	531	531	10.04
18	B_u	410	410	51.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.721	0.000
C2	0.249	-0.721	0.000
H3	-1.347	0.790	0.000
H4	1.347	-0.790	0.000
F5	0.249	1.352	1.105
F6	0.249	1.352	-1.105
F7	-0.249	-1.352	1.105
F8	-0.249	-1.352	-1.105

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5258	1.0997	2.1977	1.3664	1.3664	2.3489	2.3489
C2	1.5258		2.1977	1.0997	2.3489	2.3489	1.3664	1.3664
H3	1.0997	2.1977		3.1225	2.0206	2.0206	2.6482	2.6482
H4	2.1977	1.0997	3.1225		2.6482	2.6482	2.0206	2.0206
F5	1.3664	2.3489	2.0206	2.6482		2.2102	2.7488	3.5272
F6	1.3664	2.3489	2.0206	2.6482	2.2102		3.5272	2.7488
F7	2.3489	1.3664	2.6482	2.0206	2.7488	3.5272		2.2102
F8	2.3489	1.3664	2.6482	2.0206	3.5272	2.7488	2.2102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.650	C1	C2	F7	108.492
C1	C2	F8	108.492	C2	C1	H3	112.650
C2	C1	F5	108.492	C2	C1	F6	108.492
H3	C1	F5	109.565	H3	C1	F6	109.565
H4	C2	F7	109.565	H4	C2	F8	109.565
F5	C1	F6	107.958	F7	C2	F8	107.958

All results from a given calculation for CHF₂CHF₂ (1,1,2,2-tetrafluoroethane)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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 CHF2CHF2 (1,1,2,2-tetrafluoroethane)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHF₂CHF₂ (1,1,2,2-tetrafluoroethane)