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	hartrees
Energy at 0K	-476.681984
Energy at 298.15K	-476.685916
HF Energy	-476.681984
Nuclear repulsion energy	266.464098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3143	3007	0.00
2	A_g	1477	1413	0.00
3	A_g	1168	1118	0.00
4	A_g	1119	1071	0.00
5	A_g	625	598	0.00
6	A_g	354	338	0.00
7	A_u	1355	1296	42.11
8	A_u	1174	1123	435.87
9	A_u	192	184	2.16
10	A_u	78	74	2.75
11	B_g	1385	1325	0.00
12	B_g	1137	1088	0.00
13	B_g	482	461	0.00
14	B_u	3154	3017	33.92
15	B_u	1321	1263	27.00
16	B_u	1153	1103	240.21
17	B_u	536	513	11.12
18	B_u	407	390	51.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.720	0.000
C2	0.246	-0.720	0.000
H3	-1.336	0.790	0.000
H4	1.336	-0.790	0.000
F5	0.246	1.342	1.098
F6	0.246	1.342	-1.098
F7	-0.246	-1.342	1.098
F8	-0.246	-1.342	-1.098

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5214	1.0917	2.1864	1.3542	1.3542	2.3355	2.3355
C2	1.5214		2.1864	1.0917	2.3355	2.3355	1.3542	1.3542
H3	1.0917	2.1864		3.1031	2.0027	2.0027	2.6335	2.6335
H4	2.1864	1.0917	3.1031		2.6335	2.6335	2.0027	2.0027
F5	1.3542	2.3355	2.0027	2.6335		2.1951	2.7283	3.5018
F6	1.3542	2.3355	2.0027	2.6335	2.1951		3.5018	2.7283
F7	2.3355	1.3542	2.6335	2.0027	2.7283	3.5018		2.1951
F8	2.3355	1.3542	2.6335	2.0027	3.5018	2.7283	2.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.548	C1	C2	F7	108.486
C1	C2	F8	108.486	C2	C1	H3	112.548
C2	C1	F5	108.486	C2	C1	F6	108.486
H3	C1	F5	109.466	H3	C1	F6	109.466
H4	C2	F7	109.466	H4	C2	F8	109.466
F5	C1	F6	108.292	F7	C2	F8	108.292

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

using model chemistry: B1B95/6-31+G**

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	0.419
2	C	0.419
3	H	0.170
4	H	0.170
5	F	-0.294
6	F	-0.294
7	F	-0.294
8	F	-0.294

	x	y	z
x	3.951	0.082	0.000
y	0.082	4.162	0.000
z	0.000	0.000	4.340

<r²>	142.958
(<r²>)^1/2	11.956

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

using model chemistry: B1B95/6-31+G**

States and conformations

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