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	hartrees
Energy at 0K	-476.975714
Energy at 298.15K	-476.979672
HF Energy	-476.975714
Nuclear repulsion energy	265.375354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3084	2984	0.00
2	A_g	1453	1405	0.00
3	A_g	1142	1105	0.00
4	A_g	1102	1067	0.00
5	A_g	620	600	0.00
6	A_g	357	346	0.00
7	A_u	1344	1300	18.10
8	A_u	1119	1083	428.71
9	A_u	206	199	1.93
10	A_u	80	77	2.26
11	B_g	1374	1329	0.00
12	B_g	1085	1050	0.00
13	B_g	478	462	0.00
14	B_u	3096	2995	34.92
15	B_u	1323	1280	22.29
16	B_u	1119	1083	225.06
17	B_u	537	519	8.88
18	B_u	413	399	46.77

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	1.0910	2.1884	1.3588	1.3588	2.3485	2.3485
C2	1.5276		2.1884	1.0910	2.3485	2.3485	1.3588	1.3588
H3	1.0910	2.1884		3.1024	2.0052	2.0052	2.6432	2.6432
H4	2.1884	1.0910	3.1024		2.6432	2.6432	2.0052	2.0052
F5	1.3588	2.3485	2.0052	2.6432		2.2004	2.7474	3.5200
F6	1.3588	2.3485	2.0052	2.6432	2.2004		3.5200	2.7474
F7	2.3485	1.3588	2.6432	2.0052	2.7474	3.5200		2.2004
F8	2.3485	1.3588	2.6432	2.0052	3.5200	2.7474	2.2004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.307	C1	C2	F7	108.766
C1	C2	F8	108.766	C2	C1	H3	112.307
C2	C1	F5	108.766	C2	C1	F6	108.766
H3	C1	F5	109.389	H3	C1	F6	109.389
H4	C2	F7	109.389	H4	C2	F8	109.389
F5	C1	F6	108.131	F7	C2	F8	108.131

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

using model chemistry: B3LYP/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	0.255
4	H	0.255
5	F	-0.384
6	F	-0.384
7	F	-0.384
8	F	-0.384

	x	y	z
x	4.373	0.074	0.000
y	0.074	4.754	0.000
z	0.000	0.000	4.825

<r²>	144.261
(<r²>)^1/2	12.011

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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