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	hartrees
Energy at 0K	-476.785753
Energy at 298.15K	-476.789448
HF Energy	-476.785753
Nuclear repulsion energy	258.186922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3180	3057	0.00
2	A_g	1428	1373	0.00
3	A_g	1139	1095	0.00
4	A_g	1036	995	0.00
5	A_g	571	549	0.00
6	A_g	333	320	0.00
7	A_u	1323	1272	8.77
8	A_u	1057	1016	343.85
9	A_u	194	186	4.24
10	A_u	67	64	4.32
11	B_g	1347	1295	0.00
12	B_g	1011	972	0.00
13	B_g	449	431	0.00
14	B_u	3190	3066	27.48
15	B_u	1306	1255	17.21
16	B_u	1045	1004	170.95
17	B_u	482	464	13.94
18	B_u	396	380	69.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.259	0.721	0.000
C2	0.259	-0.721	0.000
H3	-1.349	0.802	0.000
H4	1.349	-0.802	0.000
F5	0.259	1.380	1.139
F6	0.259	1.380	-1.139
F7	-0.259	-1.380	1.139
F8	-0.259	-1.380	-1.139

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5327	1.0932	2.2147	1.4137	1.4137	2.3900	2.3900
C2	1.5327		2.2147	1.0932	2.3900	2.3900	1.4137	1.4137
H3	1.0932	2.2147		3.1386	2.0532	2.0532	2.6918	2.6918
H4	2.2147	1.0932	3.1386		2.6918	2.6918	2.0532	2.0532
F5	1.4137	2.3900	2.0532	2.6918		2.2782	2.8073	3.6154
F6	1.4137	2.3900	2.0532	2.6918	2.2782		3.6154	2.8073
F7	2.3900	1.4137	2.6918	2.0532	2.8073	3.6154		2.2782
F8	2.3900	1.4137	2.6918	2.0532	3.6154	2.8073	2.2782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.951	C1	C2	F7	108.348
C1	C2	F8	108.348	C2	C1	H3	113.951
C2	C1	F5	108.348	C2	C1	F6	108.348
H3	C1	F5	109.307	H3	C1	F6	109.307
H4	C2	F7	109.307	H4	C2	F8	109.307
F5	C1	F6	107.373	F7	C2	F8	107.373

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

using model chemistry: B3LYP/LANL2DZ

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	0.183
2	C	0.183
3	H	0.243
4	H	0.243
5	F	-0.213
6	F	-0.213
7	F	-0.213
8	F	-0.213

	x	y	z
x	2.877	0.179	0.000
y	0.179	3.258	0.000
z	0.000	0.000	3.769

<r²>	151.139
(<r²>)^1/2	12.294

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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