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	hartrees
Energy at 0K	-469.625869
Energy at 298.15K	-469.629210
HF Energy	-469.625869
Nuclear repulsion energy	255.581957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3212	2833	0.00
2	A_g	1479	1305	0.00
3	A_g	1175	1036	0.00
4	A_g	1032	910	0.00
5	A_g	601	530	0.00
6	A_g	318	280	0.00
7	A_u	1433	1264	63.68
8	A_u	1250	1103	75.49
9	A_u	157	138	0.43
10	A_u	24	21	0.89
11	B_g	1479	1305	0.00
12	B_g	1242	1096	0.00
13	B_g	445	392	0.00
14	B_u	3222	2842	40.65
15	B_u	1343	1185	54.18
16	B_u	1194	1054	62.58
17	B_u	505	445	8.42
18	B_u	388	342	15.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.776	0.000
C2	0.245	-0.776	0.000
H3	-1.374	0.795	0.000
H4	1.374	-0.795	0.000
F5	0.245	1.419	1.136
F6	0.245	1.419	-1.136
F7	-0.245	-1.419	1.136
F8	-0.245	-1.419	-1.136

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.6274	1.1292	2.2555	1.3940	1.3940	2.4717	2.4717
C2	1.6274		2.2555	1.1292	2.4717	2.4717	1.3940	1.3940
H3	1.1292	2.2555		3.1744	2.0733	2.0733	2.7328	2.7328
H4	2.2555	1.1292	3.1744		2.7328	2.7328	2.0733	2.0733
F5	1.3940	2.4717	2.0733	2.7328		2.2716	2.8804	3.6684
F6	1.3940	2.4717	2.0733	2.7328	2.2716		3.6684	2.8804
F7	2.4717	1.3940	2.7328	2.0733	2.8804	3.6684		2.2716
F8	2.4717	1.3940	2.7328	2.0733	3.6684	2.8804	2.2716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	108.461	C1	C2	F7	109.546
C1	C2	F8	109.546	C2	C1	H3	108.461
C2	C1	F5	109.546	C2	C1	F6	109.546
H3	C1	F5	110.069	H3	C1	F6	110.069
H4	C2	F7	110.069	H4	C2	F8	110.069
F5	C1	F6	109.134	F7	C2	F8	109.134

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

using model chemistry: PBE1PBE/STO-3G

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	0.117
2	C	0.117
3	H	0.076
4	H	0.076
5	F	-0.097
6	F	-0.097
7	F	-0.097
8	F	-0.097

	x	y	z
x	1.827	0.122	0.000
y	0.122	2.201	0.000
z	0.000	0.000	2.390

<r²>	151.900
(<r²>)^1/2	12.325

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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