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	hartrees
Energy at 0K	-476.323803
Energy at 298.15K	-476.327602
HF Energy	-476.323803
Nuclear repulsion energy	263.533814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2985	2967	0.00
2	A_g	1394	1385	0.00
3	A_g	1109	1103	0.00
4	A_g	1070	1064	0.00
5	A_g	600	597	0.00
6	A_g	346	344	0.00
7	A_u	1286	1278	50.18
8	A_u	1110	1103	367.61
9	A_u	189	188	2.10
10	A_u	70	69	1.60
11	B_g	1313	1306	0.00
12	B_g	1072	1066	0.00
13	B_g	460	457	0.00
14	B_u	2995	2978	66.64
15	B_u	1251	1244	26.21
16	B_u	1097	1090	209.97
17	B_u	520	517	6.97
18	B_u	385	383	39.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.000
C2	0.246	-0.725	0.000
H3	-1.357	0.783	0.000
H4	1.357	-0.783	0.000
F5	0.246	1.356	1.112
F6	0.246	1.356	-1.112
F7	-0.246	-1.356	1.112
F8	-0.246	-1.356	-1.112

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5314	1.1128	2.2012	1.3695	1.3695	2.3593	2.3593
C2	1.5314		2.2012	1.1128	2.3593	2.3593	1.3695	1.3695
H3	1.1128	2.2012		3.1341	2.0333	2.0333	2.6544	2.6544
H4	2.2012	1.1128	3.1341		2.6544	2.6544	2.0333	2.0333
F5	1.3695	2.3593	2.0333	2.6544		2.2232	2.7560	3.5409
F6	1.3695	2.3593	2.0333	2.6544	2.2232		3.5409	2.7560
F7	2.3593	1.3695	2.6544	2.0333	2.7560	3.5409		2.2232
F8	2.3593	1.3695	2.6544	2.0333	3.5409	2.7560	2.2232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.729	C1	C2	F7	108.709
C1	C2	F8	108.709	C2	C1	H3	111.729
C2	C1	F5	108.709	C2	C1	F6	108.709
H3	C1	F5	109.557	H3	C1	F6	109.557
H4	C2	F7	109.557	H4	C2	F8	109.557
F5	C1	F6	108.518	F7	C2	F8	108.518

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.294
2	C	0.294
3	H	0.035
4	H	0.035
5	F	-0.165
6	F	-0.165
7	F	-0.165
8	F	-0.165

	x	y	z
x	3.601	-0.051	0.000
y	-0.051	3.603	0.000
z	0.000	0.000	3.706

<r²>	144.955
(<r²>)^1/2	12.040

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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