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	hartrees
Energy at 0K	-476.792422
Energy at 298.15K	-476.796406
HF Energy	-476.792422
Nuclear repulsion energy	265.951482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3092	2982	0.00
2	A_g	1462	1409	0.00
3	A_g	1153	1112	0.00
4	A_g	1109	1069	0.00
5	A_g	629	606	0.00
6	A_g	361	348	0.00
7	A_u	1363	1314	28.54
8	A_u	1145	1104	438.66
9	A_u	208	200	2.75
10	A_u	78	76	2.42
11	B_g	1393	1344	0.00
12	B_g	1112	1072	0.00
13	B_g	482	465	0.00
14	B_u	3104	2993	42.60
15	B_u	1327	1279	25.96
16	B_u	1137	1096	239.33
17	B_u	546	527	9.51
18	B_u	413	399	50.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.725	0.000
C2	0.244	-0.725	0.000
H3	-1.335	0.790	0.000
H4	1.335	-0.790	0.000
F5	0.244	1.348	1.098
F6	0.244	1.348	-1.098
F7	-0.244	-1.348	1.098
F8	-0.244	-1.348	-1.098

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5287	1.0936	2.1876	1.3537	1.3537	2.3459	2.3459
C2	1.5287		2.1876	1.0936	2.3459	2.3459	1.3537	1.3537
H3	1.0936	2.1876		3.1026	2.0027	2.0027	2.6400	2.6400
H4	2.1876	1.0936	3.1026		2.6400	2.6400	2.0027	2.0027
F5	1.3537	2.3459	2.0027	2.6400		2.1964	2.7404	3.5120
F6	1.3537	2.3459	2.0027	2.6400	2.1964		3.5120	2.7404
F7	2.3459	1.3537	2.6400	2.0027	2.7404	3.5120		2.1964
F8	2.3459	1.3537	2.6400	2.0027	3.5120	2.7404	2.1964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.000	C1	C2	F7	108.793
C1	C2	F8	108.793	C2	C1	H3	112.000
C2	C1	F5	108.793	C2	C1	F6	108.793
H3	C1	F5	109.375	H3	C1	F6	109.375
H4	C2	F7	109.375	H4	C2	F8	109.375
F5	C1	F6	108.436	F7	C2	F8	108.436

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

using model chemistry: B3PW91/TZVP

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	0.118
4	H	0.118
5	F	-0.175
6	F	-0.175
7	F	-0.175
8	F	-0.175

	x	y	z
x	3.710	0.066	0.000
y	0.066	3.862	0.000
z	0.000	0.000	4.075

<r²>	143.633
(<r²>)^1/2	11.985

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

using model chemistry: B3PW91/TZVP

States and conformations

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