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	hartrees
Energy at 0K	-476.191982
Energy at 298.15K	-476.195695
HF Energy	-476.191982
Nuclear repulsion energy	258.880927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3078	3035	0.00
2	A_g	1406	1387	0.00
3	A_g	1128	1112	0.00
4	A_g	1035	1021	0.00
5	A_g	569	561	0.00
6	A_g	332	328	0.00
7	A_u	1315	1297	21.25
8	A_u	1079	1064	284.87
9	A_u	188	186	3.34
10	A_u	81	79	2.36
11	B_g	1342	1324	0.00
12	B_g	1030	1016	0.00
13	B_g	451	445	0.00
14	B_u	3091	3048	37.44
15	B_u	1278	1260	16.19
16	B_u	1050	1036	154.95
17	B_u	479	473	11.74
18	B_u	387	381	57.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.255	0.716	0.000
C2	0.255	-0.716	0.000
H3	-1.352	0.783	0.000
H4	1.352	-0.783	0.000
F5	0.255	1.364	1.146
F6	0.255	1.364	-1.146
F7	-0.255	-1.364	1.146
F8	-0.255	-1.364	-1.146

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5203	1.0992	2.1982	1.4124	1.4124	2.3754	2.3754
C2	1.5203		2.1982	1.0992	2.3754	2.3754	1.4124	1.4124
H3	1.0992	2.1982		3.1257	2.0580	2.0580	2.6705	2.6705
H4	2.1982	1.0992	3.1257		2.6705	2.6705	2.0580	2.0580
F5	1.4124	2.3754	2.0580	2.6705		2.2927	2.7762	3.6005
F6	1.4124	2.3754	2.0580	2.6705	2.2927		3.6005	2.7762
F7	2.3754	1.4124	2.6705	2.0580	2.7762	3.6005		2.2927
F8	2.3754	1.4124	2.6705	2.0580	3.6005	2.7762	2.2927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.127	C1	C2	F7	108.132
C1	C2	F8	108.132	C2	C1	H3	113.127
C2	C1	F5	108.132	C2	C1	F6	108.132
H3	C1	F5	109.416	H3	C1	F6	109.416
H4	C2	F7	109.416	H4	C2	F8	109.416
F5	C1	F6	108.508	F7	C2	F8	108.508

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.323
2	C	0.323
3	H	0.196
4	H	0.196
5	F	-0.260
6	F	-0.260
7	F	-0.260
8	F	-0.260

	x	y	z
x	3.142	0.091	0.000
y	0.091	3.304	0.000
z	0.000	0.000	3.806

<r²>	149.267
(<r²>)^1/2	12.217

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

using model chemistry: PBEPBE/6-31G

States and conformations

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