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	hartrees
Energy at 0K	-476.733013
Energy at 298.15K	-476.736878
HF Energy	-476.733013
Nuclear repulsion energy	263.698928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3022	2976	0.00
2	A_g	1408	1386	0.00
3	A_g	1101	1084	0.00
4	A_g	1069	1053	0.00
5	A_g	602	592	0.00
6	A_g	349	344	0.00
7	A_u	1308	1288	14.81
8	A_u	1071	1054	438.07
9	A_u	205	202	1.76
10	A_u	78	77	1.84
11	B_g	1337	1317	0.00
12	B_g	1035	1019	0.00
13	B_g	463	456	0.00
14	B_u	3034	2988	47.15
15	B_u	1291	1271	20.59
16	B_u	1079	1062	222.66
17	B_u	523	515	7.02
18	B_u	404	397	42.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.729	0.000
C2	0.246	-0.729	0.000
H3	-1.340	0.799	0.000
H4	1.340	-0.799	0.000
F5	0.246	1.360	1.108
F6	0.246	1.360	-1.108
F7	-0.246	-1.360	1.108
F8	-0.246	-1.360	-1.108

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5380	1.0963	2.2021	1.3671	1.3671	2.3643	2.3643
C2	1.5380		2.2021	1.0963	2.3643	2.3643	1.3671	1.3671
H3	1.0963	2.2021		3.1204	2.0149	2.0149	2.6617	2.6617
H4	2.2021	1.0963	3.1204		2.6617	2.6617	2.0149	2.0149
F5	1.3671	2.3643	2.0149	2.6617		2.2159	2.7643	3.5428
F6	1.3671	2.3643	2.0149	2.6617	2.2159		3.5428	2.7643
F7	2.3643	1.3671	2.6617	2.0149	2.7643	3.5428		2.2159
F8	2.3643	1.3671	2.6617	2.0149	3.5428	2.7643	2.2159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.341	C1	C2	F7	108.801
C1	C2	F8	108.801	C2	C1	H3	112.341
C2	C1	F5	108.801	C2	C1	F6	108.801
H3	C1	F5	109.266	H3	C1	F6	109.266
H4	C2	F7	109.266	H4	C2	F8	109.266
F5	C1	F6	108.279	F7	C2	F8	108.279

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

using model chemistry: B97D3/aug-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	0.569
2	C	0.569
3	H	0.176
4	H	0.176
5	F	-0.372
6	F	-0.372
7	F	-0.372
8	F	-0.372

	x	y	z
x	4.562	0.072	0.000
y	0.072	4.983	0.000
z	0.000	0.000	5.043

<r²>	145.698
(<r²>)^1/2	12.071

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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