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	hartrees
Energy at 0K	-476.323816
Energy at 298.15K	-476.327618
HF Energy	-476.323816
Nuclear repulsion energy	263.539571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2985	2968	0.00
2	A_g	1393	1385	0.00
3	A_g	1109	1103	0.00
4	A_g	1071	1064	0.00
5	A_g	600	597	0.00
6	A_g	345	343	0.00
7	A_u	1286	1278	50.52
8	A_u	1110	1104	367.24
9	A_u	190	189	2.10
10	A_u	71	71	1.62
11	B_g	1313	1306	0.00
12	B_g	1073	1066	0.00
13	B_g	460	457	0.00
14	B_u	2996	2978	66.68
15	B_u	1250	1243	26.21
16	B_u	1097	1091	210.03
17	B_u	520	517	7.00
18	B_u	384	382	39.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.000
C2	0.246	-0.725	0.000
H3	-1.357	0.783	0.000
H4	1.357	-0.783	0.000
F5	0.246	1.356	1.111
F6	0.246	1.356	-1.111
F7	-0.246	-1.356	1.111
F8	-0.246	-1.356	-1.111

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5314	1.1128	2.2011	1.3694	1.3694	2.3593	2.3593
C2	1.5314		2.2011	1.1128	2.3593	2.3593	1.3694	1.3694
H3	1.1128	2.2011		3.1339	2.0333	2.0333	2.6543	2.6543
H4	2.2011	1.1128	3.1339		2.6543	2.6543	2.0333	2.0333
F5	1.3694	2.3593	2.0333	2.6543		2.2229	2.7562	3.5409
F6	1.3694	2.3593	2.0333	2.6543	2.2229		3.5409	2.7562
F7	2.3593	1.3694	2.6543	2.0333	2.7562	3.5409		2.2229
F8	2.3593	1.3694	2.6543	2.0333	3.5409	2.7562	2.2229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.717	C1	C2	F7	108.713
C1	C2	F8	108.713	C2	C1	H3	111.717
C2	C1	F5	108.713	C2	C1	F6	108.713
H3	C1	F5	109.564	H3	C1	F6	109.564
H4	C2	F7	109.564	H4	C2	F8	109.564
F5	C1	F6	108.507	F7	C2	F8	108.507

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

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	0.294
2	C	0.294
3	H	0.035
4	H	0.035
5	F	-0.165
6	F	-0.165
7	F	-0.165
8	F	-0.165

	x	y	z
x	3.602	-0.051	0.000
y	-0.051	3.603	0.000
z	0.000	0.000	3.706

<r²>	144.953
(<r²>)^1/2	12.040

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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