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	hartrees
Energy at 0K	-476.975719
Energy at 298.15K	-476.979676
HF Energy	-476.975719
Nuclear repulsion energy	265.376220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	2983	0.00
2	A_g	1452	1405	0.00
3	A_g	1142	1105	0.00
4	A_g	1102	1066	0.00
5	A_g	620	600	0.00
6	A_g	357	346	0.00
7	A_u	1343	1300	18.14
8	A_u	1119	1083	428.75
9	A_u	205	199	1.95
10	A_u	80	78	2.25
11	B_g	1374	1329	0.00
12	B_g	1085	1050	0.00
13	B_g	478	462	0.00
14	B_u	3095	2994	34.84
15	B_u	1323	1280	22.27
16	B_u	1119	1083	225.02
17	B_u	537	519	8.89
18	B_u	412	399	46.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.723	0.000
C2	0.246	-0.723	0.000
H3	-1.334	0.791	0.000
H4	1.334	-0.791	0.000
F5	0.246	1.352	1.100
F6	0.246	1.352	-1.100
F7	-0.246	-1.352	1.100
F8	-0.246	-1.352	-1.100

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5276	1.0909	2.1883	1.3588	1.3588	2.3485	2.3485
C2	1.5276		2.1883	1.0909	2.3485	2.3485	1.3588	1.3588
H3	1.0909	2.1883		3.1022	2.0053	2.0053	2.6431	2.6431
H4	2.1883	1.0909	3.1022		2.6431	2.6431	2.0053	2.0053
F5	1.3588	2.3485	2.0053	2.6431		2.2005	2.7473	3.5199
F6	1.3588	2.3485	2.0053	2.6431	2.2005		3.5199	2.7473
F7	2.3485	1.3588	2.6431	2.0053	2.7473	3.5199		2.2005
F8	2.3485	1.3588	2.6431	2.0053	3.5199	2.7473	2.2005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.300	C1	C2	F7	108.762
C1	C2	F8	108.762	C2	C1	H3	112.300
C2	C1	F5	108.762	C2	C1	F6	108.762
H3	C1	F5	109.395	H3	C1	F6	109.395
H4	C2	F7	109.395	H4	C2	F8	109.395
F5	C1	F6	108.136	F7	C2	F8	108.136

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

using model chemistry: B3LYPultrafine/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	0.514
2	C	0.514
3	H	0.254
4	H	0.254
5	F	-0.384
6	F	-0.384
7	F	-0.384
8	F	-0.384

	x	y	z
x	4.374	0.075	0.000
y	0.075	4.754	0.000
z	0.000	0.000	4.826

<r²>	144.257
(<r²>)^1/2	12.011

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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