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	hartrees
Energy at 0K	-476.730445
Energy at 298.15K	-476.734416
HF Energy	-476.730445
Nuclear repulsion energy	266.241963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3112	2996	0.00
2	A_g	1480	1425	0.00
3	A_g	1163	1119	0.00
4	A_g	1118	1076	0.00
5	A_g	628	605	0.00
6	A_g	361	347	0.00
7	A_u	1379	1328	42.34
8	A_u	1156	1112	418.48
9	A_u	203	196	2.54
10	A_u	81	78	2.28
11	B_g	1406	1353	0.00
12	B_g	1122	1081	0.00
13	B_g	484	466	0.00
14	B_u	3124	3007	59.94
15	B_u	1330	1280	30.13
16	B_u	1142	1099	243.03
17	B_u	544	524	9.44
18	B_u	412	397	48.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.721	0.000
C2	0.243	-0.721	0.000
H3	-1.335	0.788	0.000
H4	1.335	-0.788	0.000
F5	0.243	1.344	1.099
F6	0.243	1.344	-1.099
F7	-0.243	-1.344	1.099
F8	-0.243	-1.344	-1.099

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5219	1.0933	2.1829	1.3540	1.3540	2.3396	2.3396
C2	1.5219		2.1829	1.0933	2.3396	2.3396	1.3540	1.3540
H3	1.0933	2.1829		3.0992	2.0019	2.0019	2.6351	2.6351
H4	2.1829	1.0933	3.0992		2.6351	2.6351	2.0019	2.0019
F5	1.3540	2.3396	2.0019	2.6351		2.1983	2.7323	3.5069
F6	1.3540	2.3396	2.0019	2.6351	2.1983		3.5069	2.7323
F7	2.3396	1.3540	2.6351	2.0019	2.7323	3.5069		2.1983
F8	2.3396	1.3540	2.6351	2.0019	3.5069	2.7323	2.1983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.133	C1	C2	F7	108.745
C1	C2	F8	108.745	C2	C1	H3	112.133
C2	C1	F5	108.745	C2	C1	F6	108.745
H3	C1	F5	109.306	H3	C1	F6	109.306
H4	C2	F7	109.306	H4	C2	F8	109.306
F5	C1	F6	108.537	F7	C2	F8	108.537

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

using model chemistry: B3PW91/6-311G*

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	0.232
2	C	0.232
3	H	0.211
4	H	0.211
5	F	-0.221
6	F	-0.221
7	F	-0.221
8	F	-0.221

	x	y	z
x	3.388	-0.011	0.000
y	-0.011	3.428	0.000
z	0.000	0.000	3.603

<r²>	142.885
(<r²>)^1/2	11.953

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

using model chemistry: B3PW91/6-311G*

States and conformations

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