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	hartrees
Energy at 0K	-476.733420
Energy at 298.15K	-476.737391
HF Energy	-476.733420
Nuclear repulsion energy	266.166226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3100	2985	0.00
2	A_g	1466	1412	0.00
3	A_g	1158	1115	0.00
4	A_g	1114	1073	0.00
5	A_g	626	603	0.00
6	A_g	360	347	0.00
7	A_u	1364	1314	39.56
8	A_u	1153	1111	414.59
9	A_u	203	195	2.53
10	A_u	79	76	2.29
11	B_g	1391	1339	0.00
12	B_g	1120	1079	0.00
13	B_g	483	465	0.00
14	B_u	3111	2996	50.93
15	B_u	1318	1269	28.34
16	B_u	1140	1098	240.37
17	B_u	543	523	9.51
18	B_u	408	393	49.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.721	0.000
C2	0.244	-0.721	0.000
H3	-1.336	0.784	0.000
H4	1.336	-0.784	0.000
F5	0.244	1.345	1.099
F6	0.244	1.345	-1.099
F7	-0.244	-1.345	1.099
F8	-0.244	-1.345	-1.099

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5224	1.0935	2.1818	1.3547	1.3547	2.3400	2.3400
C2	1.5224		2.1818	1.0935	2.3400	2.3400	1.3547	1.3547
H3	1.0935	2.1818		3.0975	2.0046	2.0046	2.6326	2.6326
H4	2.1818	1.0935	3.0975		2.6326	2.6326	2.0046	2.0046
F5	1.3547	2.3400	2.0046	2.6326		2.1980	2.7336	3.5077
F6	1.3547	2.3400	2.0046	2.6326	2.1980		3.5077	2.7336
F7	2.3400	1.3547	2.6326	2.0046	2.7336	3.5077		2.1980
F8	2.3400	1.3547	2.6326	2.0046	3.5077	2.7336	2.1980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.993	C1	C2	F7	108.702
C1	C2	F8	108.702	C2	C1	H3	111.993
C2	C1	F5	108.702	C2	C1	F6	108.702
H3	C1	F5	109.468	H3	C1	F6	109.468
H4	C2	F7	109.468	H4	C2	F8	109.468
F5	C1	F6	108.437	F7	C2	F8	108.437

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	0.322
2	C	0.322
3	H	0.123
4	H	0.123
5	F	-0.223
6	F	-0.223
7	F	-0.223
8	F	-0.223

	x	y	z
x	3.410	-0.015	0.000
y	-0.015	3.473	0.000
z	0.000	0.000	3.633

<r²>	142.928
(<r²>)^1/2	11.955

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)