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	hartrees
Energy at 0K	-474.003014
Energy at 298.15K	-474.006881
HF Energy	-474.003014
Nuclear repulsion energy	262.843256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3131	3009	0.00
2	A_g	1485	1427	0.00
3	A_g	1151	1107	0.00
4	A_g	1098	1055	0.00
5	A_g	597	574	0.00
6	A_g	346	332	0.00
7	A_u	1403	1349	48.59
8	A_u	1195	1149	225.22
9	A_u	187	180	3.53
10	A_u	86	82	2.04
11	B_g	1420	1365	0.00
12	B_g	1141	1097	0.00
13	B_g	467	449	0.00
14	B_u	3148	3026	58.61
15	B_u	1353	1301	19.50
16	B_u	1133	1089	151.76
17	B_u	510	490	11.97
18	B_u	384	369	56.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.714	0.000
C2	0.250	-0.714	0.000
H3	-1.340	0.743	0.000
H4	1.340	-0.743	0.000
F5	0.250	1.344	1.129
F6	0.250	1.344	-1.129
F7	-0.250	-1.344	1.129
F8	-0.250	-1.344	-1.129

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5133	1.0906	2.1565	1.3858	1.3858	2.3472	2.3472
C2	1.5133		2.1565	1.0906	2.3472	2.3472	1.3858	1.3858
H3	1.0906	2.1565		3.0642	2.0404	2.0404	2.6108	2.6108
H4	2.1565	1.0906	3.0642		2.6108	2.6108	2.0404	2.0404
F5	1.3858	2.3472	2.0404	2.6108		2.2582	2.7332	3.5454
F6	1.3858	2.3472	2.0404	2.6108	2.2582		3.5454	2.7332
F7	2.3472	1.3858	2.6108	2.0404	2.7332	3.5454		2.2582
F8	2.3472	1.3858	2.6108	2.0404	3.5454	2.7332	2.2582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.778	C1	C2	F7	108.037
C1	C2	F8	108.037	C2	C1	H3	110.778
C2	C1	F5	108.037	C2	C1	F6	108.037
H3	C1	F5	110.395	H3	C1	F6	110.395
H4	C2	F7	110.395	H4	C2	F8	110.395
F5	C1	F6	109.125	F7	C2	F8	109.125

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

using model chemistry: B3PW91/3-21G

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	0.315
2	C	0.315
3	H	0.246
4	H	0.246
5	F	-0.280
6	F	-0.280
7	F	-0.280
8	F	-0.280

	x	y	z
x	2.879	0.033	0.000
y	0.033	2.805	0.000
z	0.000	0.000	3.168

<r²>	145.012
(<r²>)^1/2	12.042

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

using model chemistry: B3PW91/3-21G

States and conformations

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