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	hartrees
Energy at 0K	-476.478966
Energy at 298.15K	-476.482816
HF Energy	-476.478966
Nuclear repulsion energy	261.117740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3179	3045	0.00
2	A_g	1465	1403	0.00
3	A_g	1173	1124	0.00
4	A_g	1077	1032	0.00
5	A_g	590	565	0.00
6	A_g	344	330	0.00
7	A_u	1366	1308	24.16
8	A_u	1134	1086	293.57
9	A_u	196	187	3.84
10	A_u	84	80	3.06
11	B_g	1394	1335	0.00
12	B_g	1091	1045	0.00
13	B_g	470	450	0.00
14	B_u	3192	3057	27.87
15	B_u	1327	1271	19.40
16	B_u	1096	1050	170.81
17	B_u	498	477	14.90
18	B_u	404	387	66.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.713	0.000
C2	0.253	-0.713	0.000
H3	-1.340	0.781	0.000
H4	1.340	-0.781	0.000
F5	0.253	1.356	1.134
F6	0.253	1.356	-1.134
F7	-0.253	-1.356	1.134
F8	-0.253	-1.356	-1.134

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5123	1.0890	2.1837	1.3985	1.3985	2.3588	2.3588
C2	1.5123		2.1837	1.0890	2.3588	2.3588	1.3985	1.3985
H3	1.0890	2.1837		3.1019	2.0381	2.0381	2.6520	2.6520
H4	2.1837	1.0890	3.1019		2.6520	2.6520	2.0381	2.0381
F5	1.3985	2.3588	2.0381	2.6520		2.2675	2.7587	3.5710
F6	1.3985	2.3588	2.0381	2.6520	2.2675		3.5710	2.7587
F7	2.3588	1.3985	2.6520	2.0381	2.7587	3.5710		2.2675
F8	2.3588	1.3985	2.6520	2.0381	3.5710	2.7587	2.2675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.168	C1	C2	F7	108.199
C1	C2	F8	108.199	C2	C1	H3	113.168
C2	C1	F5	108.199	C2	C1	F6	108.199
H3	C1	F5	109.413	H3	C1	F6	109.413
H4	C2	F7	109.413	H4	C2	F8	109.413
F5	C1	F6	108.330	F7	C2	F8	108.330

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

using model chemistry: B3PW91/6-31G

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	0.382
2	C	0.382
3	H	0.215
4	H	0.215
5	F	-0.298
6	F	-0.298
7	F	-0.298
8	F	-0.298

	x	y	z
x	2.975	0.095	0.000
y	0.095	3.079	0.000
z	0.000	0.000	3.581

<r²>	147.325
(<r²>)^1/2	12.138

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

using model chemistry: B3PW91/6-31G

States and conformations

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