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	hartrees
Energy at 0K	-476.492491
Energy at 298.15K	-476.496327
HF Energy	-476.492491
Nuclear repulsion energy	264.008093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2988	2968	0.00
2	A_g	1394	1385	0.00
3	A_g	1105	1098	0.00
4	A_g	1072	1064	0.00
5	A_g	603	599	0.00
6	A_g	347	345	0.00
7	A_u	1291	1283	21.66
8	A_u	1093	1086	390.67
9	A_u	196	195	1.87
10	A_u	74	74	1.71
11	B_g	1322	1313	0.00
12	B_g	1054	1047	0.00
13	B_g	462	459	0.00
14	B_u	3001	2980	50.26
15	B_u	1270	1261	18.66
16	B_u	1092	1085	203.48
17	B_u	521	518	7.17
18	B_u	392	389	40.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.000
C2	0.246	-0.725	0.000
H3	-1.346	0.789	0.000
H4	1.346	-0.789	0.000
F5	0.246	1.355	1.109
F6	0.246	1.355	-1.109
F7	-0.246	-1.355	1.109
F8	-0.246	-1.355	-1.109

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5319	1.1020	2.1976	1.3666	1.3666	2.3577	2.3577
C2	1.5319		2.1976	1.1020	2.3577	2.3577	1.3666	1.3666
H3	1.1020	2.1976		3.1210	2.0208	2.0208	2.6532	2.6532
H4	2.1976	1.1020	3.1210		2.6532	2.6532	2.0208	2.0208
F5	1.3666	2.3577	2.0208	2.6532		2.2172	2.7550	3.5363
F6	1.3666	2.3577	2.0208	2.6532	2.2172		3.5363	2.7550
F7	2.3577	1.3666	2.6532	2.0208	2.7550	3.5363		2.2172
F8	2.3577	1.3666	2.6532	2.0208	3.5363	2.7550	2.2172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.059	C1	C2	F7	108.725
C1	C2	F8	108.725	C2	C1	H3	112.059
C2	C1	F5	108.725	C2	C1	F6	108.725
H3	C1	F5	109.418	H3	C1	F6	109.418
H4	C2	F7	109.418	H4	C2	F8	109.418
F5	C1	F6	108.423	F7	C2	F8	108.423

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.285
2	C	0.285
3	H	0.037
4	H	0.037
5	F	-0.161
6	F	-0.161
7	F	-0.161
8	F	-0.161

	x	y	z
x	4.028	0.005	0.000
y	0.005	4.260	0.000
z	0.000	0.000	4.342

<r²>	144.980
(<r²>)^1/2	12.041

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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