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	hartrees
Energy at 0K	-476.290819
Energy at 298.15K	-476.294642
HF Energy	-476.290819
Nuclear repulsion energy	263.920672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3008	2959	0.00
2	A_g	1428	1405	0.00
3	A_g	1122	1104	0.00
4	A_g	1093	1075	0.00
5	A_g	603	593	0.00
6	A_g	345	339	0.00
7	A_u	1340	1318	55.29
8	A_u	1134	1115	336.48
9	A_u	190	187	1.71
10	A_u	80	79	1.58
11	B_g	1367	1344	0.00
12	B_g	1098	1080	0.00
13	B_g	467	460	0.00
14	B_u	3020	2970	75.43
15	B_u	1288	1266	29.05
16	B_u	1114	1096	192.82
17	B_u	516	508	7.07
18	B_u	395	389	38.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.725	0.000
C2	0.245	-0.725	0.000
H3	-1.349	0.782	0.000
H4	1.349	-0.782	0.000
F5	0.245	1.350	1.114
F6	0.245	1.350	-1.114
F7	-0.245	-1.350	1.114
F8	-0.245	-1.350	-1.114

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5309	1.1056	2.1942	1.3681	1.3681	2.3550	2.3550
C2	1.5309		2.1942	1.1056	2.3550	2.3550	1.3681	1.3681
H3	1.1056	2.1942		3.1192	2.0264	2.0264	2.6465	2.6465
H4	2.1942	1.1056	3.1192		2.6465	2.6465	2.0264	2.0264
F5	1.3681	2.3550	2.0264	2.6465		2.2273	2.7442	3.5343
F6	1.3681	2.3550	2.0264	2.6465	2.2273		3.5343	2.7442
F7	2.3550	1.3681	2.6465	2.0264	2.7442	3.5343		2.2273
F8	2.3550	1.3681	2.6465	2.0264	3.5343	2.7442	2.2273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.644	C1	C2	F7	108.524
C1	C2	F8	108.524	C2	C1	H3	111.644
C2	C1	F5	108.524	C2	C1	F6	108.524
H3	C1	F5	109.559	H3	C1	F6	109.559
H4	C2	F7	109.559	H4	C2	F8	109.559
F5	C1	F6	108.982	F7	C2	F8	108.982

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.328
2	C	0.328
3	H	0.153
4	H	0.153
5	F	-0.240
6	F	-0.240
7	F	-0.240
8	F	-0.240

	x	y	z
x	3.620	-0.030	0.000
y	-0.030	3.679	0.000
z	0.000	0.000	3.770

<r²>	144.234
(<r²>)^1/2	12.010

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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