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	hartrees
Energy at 0K	-476.620382
Energy at 298.15K	-476.624325
HF Energy	-476.620382
Nuclear repulsion energy	265.897635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3090	2982	0.00
2	A_g	1460	1409	0.00
3	A_g	1160	1119	0.00
4	A_g	1111	1072	0.00
5	A_g	624	603	0.00
6	A_g	359	346	0.00
7	A_u	1343	1296	57.81
8	A_u	1167	1126	386.29
9	A_u	197	190	2.38
10	A_u	75	73	2.06
11	B_g	1370	1322	0.00
12	B_g	1133	1094	0.00
13	B_g	480	463	0.00
14	B_u	3101	2992	56.91
15	B_u	1302	1257	31.79
16	B_u	1145	1105	232.26
17	B_u	542	523	8.96
18	B_u	402	388	45.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.721	0.000
C2	0.244	-0.721	0.000
H3	-1.345	0.780	0.000
H4	1.345	-0.780	0.000
F5	0.244	1.346	1.100
F6	0.244	1.346	-1.100
F7	-0.244	-1.346	1.100
F8	-0.244	-1.346	-1.100

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5225	1.1026	2.1858	1.3558	1.3558	2.3413	2.3413
C2	1.5225		2.1858	1.1026	2.3413	2.3413	1.3558	1.3558
H3	1.1026	2.1858		3.1096	2.0137	2.0137	2.6346	2.6346
H4	2.1858	1.1026	3.1096		2.6346	2.6346	2.0137	2.0137
F5	1.3558	2.3413	2.0137	2.6346		2.1999	2.7354	3.5102
F6	1.3558	2.3413	2.0137	2.6346	2.1999		3.5102	2.7354
F7	2.3413	1.3558	2.6346	2.0137	2.7354	3.5102		2.1999
F8	2.3413	1.3558	2.6346	2.0137	3.5102	2.7354	2.1999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.751	C1	C2	F7	108.732
C1	C2	F8	108.732	C2	C1	H3	111.751
C2	C1	F5	108.732	C2	C1	F6	108.732
H3	C1	F5	109.557	H3	C1	F6	109.557
H4	C2	F7	109.557	H4	C2	F8	109.557
F5	C1	F6	108.446	F7	C2	F8	108.446

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

using model chemistry: B3PW91/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	0.341
2	C	0.341
3	H	0.051
4	H	0.051
5	F	-0.196
6	F	-0.196
7	F	-0.196
8	F	-0.196

	x	y	z
x	3.384	-0.028	0.000
y	-0.028	3.379	0.000
z	0.000	0.000	3.502

<r²>	142.867
(<r²>)^1/2	11.953

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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