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	hartrees
Energy at 0K	-469.850023
Energy at 298.15K	-469.853037
HF Energy	-469.850023
Nuclear repulsion energy	250.125534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2979	2756	0.00
2	A_g	1377	1274	0.00
3	A_g	1091	1009	0.00
4	A_g	894	827	0.00
5	A_g	552	511	0.00
6	A_g	285	264	0.00
7	A_u	1352	1251	60.97
8	A_u	1150	1064	97.09
9	A_u	140	130	0.27
10	A_u	7	6	0.54
11	B_g	1399	1294	0.00
12	B_g	1143	1057	0.00
13	B_g	402	372	0.00
14	B_u	2990	2766	86.46
15	B_u	1265	1170	58.71
16	B_u	1104	1021	73.02
17	B_u	476	441	5.70
18	B_u	355	329	10.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.806	0.000
C2	0.249	-0.806	0.000
H3	-1.394	0.827	0.000
H4	1.394	-0.827	0.000
F5	0.249	1.457	1.156
F6	0.249	1.457	-1.156
F7	-0.249	-1.457	1.156
F8	-0.249	-1.457	-1.156

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.6881	1.1449	2.3173	1.4173	1.4173	2.5412	2.5412
C2	1.6881		2.3173	1.1449	2.5412	2.5412	1.4173	1.4173
H3	1.1449	2.3173		3.2421	2.1058	2.1058	2.8041	2.8041
H4	2.3173	1.1449	3.2421		2.8041	2.8041	2.1058	2.1058
F5	1.4173	2.5412	2.1058	2.8041		2.3125	2.9556	3.7527
F6	1.4173	2.5412	2.1058	2.8041	2.3125		3.7527	2.9556
F7	2.5412	1.4173	2.8041	2.1058	2.9556	3.7527		2.3125
F8	2.5412	1.4173	2.8041	2.1058	3.7527	2.9556	2.3125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	108.234	C1	C2	F7	109.529
C1	C2	F8	109.529	C2	C1	H3	108.234
C2	C1	F5	109.529	C2	C1	F6	109.529
H3	C1	F5	110.096	H3	C1	F6	110.096
H4	C2	F7	110.096	H4	C2	F8	110.096
F5	C1	F6	109.340	F7	C2	F8	109.340

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

using model chemistry: BLYP/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	0.090
2	C	0.090
3	H	0.060
4	H	0.060
5	F	-0.075
6	F	-0.075
7	F	-0.075
8	F	-0.075

	x	y	z
x	1.961	0.111	0.000
y	0.111	2.614	0.000
z	0.000	0.000	2.645

<r²>	158.161
(<r²>)^1/2	12.576

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

using model chemistry: BLYP/STO-3G

States and conformations

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