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	hartrees
Energy at 0K	-476.438656
Energy at 298.15K	-476.442486
HF Energy	-476.438656
Nuclear repulsion energy	263.786733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3015	2984	0.00
2	A_g	1415	1400	0.00
3	A_g	1111	1099	0.00
4	A_g	1077	1066	0.00
5	A_g	603	597	0.00
6	A_g	348	344	0.00
7	A_u	1324	1310	35.08
8	A_u	1094	1083	400.93
9	A_u	196	194	2.25
10	A_u	76	75	1.87
11	B_g	1349	1335	0.00
12	B_g	1057	1046	0.00
13	B_g	464	459	0.00
14	B_u	3026	2995	65.95
15	B_u	1278	1265	23.86
16	B_u	1090	1079	221.00
17	B_u	521	516	7.47
18	B_u	397	392	43.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.000
C2	0.246	-0.725	0.000
H3	-1.346	0.792	0.000
H4	1.346	-0.792	0.000
F5	0.246	1.355	1.111
F6	0.246	1.355	-1.111
F7	-0.246	-1.355	1.111
F8	-0.246	-1.355	-1.111

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5301	1.1026	2.1982	1.3687	1.3687	2.3576	2.3576
C2	1.5301		2.1982	1.1026	2.3576	2.3576	1.3687	1.3687
H3	1.1026	2.1982		3.1232	2.0213	2.0213	2.6557	2.6557
H4	2.1982	1.1026	3.1232		2.6557	2.6557	2.0213	2.0213
F5	1.3687	2.3576	2.0213	2.6557		2.2229	2.7533	3.5386
F6	1.3687	2.3576	2.0213	2.6557	2.2229		3.5386	2.7533
F7	2.3576	1.3687	2.6557	2.0213	2.7533	3.5386		2.2229
F8	2.3576	1.3687	2.6557	2.0213	3.5386	2.7533	2.2229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.205	C1	C2	F7	108.711
C1	C2	F8	108.711	C2	C1	H3	112.205
C2	C1	F5	108.711	C2	C1	F6	108.711
H3	C1	F5	109.279	H3	C1	F6	109.279
H4	C2	F7	109.279	H4	C2	F8	109.279
F5	C1	F6	108.589	F7	C2	F8	108.589

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

using model chemistry: PBEPBE/6-311G*

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	0.183
2	C	0.183
3	H	0.202
4	H	0.202
5	F	-0.193
6	F	-0.193
7	F	-0.193
8	F	-0.193

	x	y	z
x	3.606	-0.036	0.000
y	-0.036	3.670	0.000
z	0.000	0.000	3.827

<r²>	145.087
(<r²>)^1/2	12.045

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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