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	hartrees
Energy at 0K	-476.671032
Energy at 298.15K	-476.675014
HF Energy	-476.671032
Nuclear repulsion energy	265.724724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3139	2990	0.00
2	A_g	1478	1408	0.00
3	A_g	1165	1110	0.00
4	A_g	1119	1066	0.00
5	A_g	625	595	0.00
6	A_g	360	343	0.00
7	A_u	1347	1283	37.14
8	A_u	1162	1107	445.36
9	A_u	206	196	2.34
10	A_u	77	74	2.58
11	B_g	1378	1313	0.00
12	B_g	1128	1075	0.00
13	B_g	483	460	0.00
14	B_u	3149	3000	35.91
15	B_u	1328	1265	26.91
16	B_u	1146	1092	245.06
17	B_u	539	513	10.68
18	B_u	420	400	53.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.727	0.000
C2	0.242	-0.727	0.000
H3	-1.336	0.793	0.000
H4	1.336	-0.793	0.000
F5	0.242	1.352	1.099
F6	0.242	1.352	-1.099
F7	-0.242	-1.352	1.099
F8	-0.242	-1.352	-1.099

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5332	1.0952	2.1912	1.3541	1.3541	2.3519	2.3519
C2	1.5332		2.1912	1.0952	2.3519	2.3519	1.3541	1.3541
H3	1.0952	2.1912		3.1065	2.0027	2.0027	2.6466	2.6466
H4	2.1912	1.0952	3.1065		2.6466	2.6466	2.0027	2.0027
F5	1.3541	2.3519	2.0027	2.6466		2.1989	2.7468	3.5185
F6	1.3541	2.3519	2.0027	2.6466	2.1989		3.5185	2.7468
F7	2.3519	1.3541	2.6466	2.0027	2.7468	3.5185		2.1989
F8	2.3519	1.3541	2.6466	2.0027	3.5185	2.7468	2.1989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.869	C1	C2	F7	108.930
C1	C2	F8	108.930	C2	C1	H3	111.869
C2	C1	F5	108.930	C2	C1	F6	108.930
H3	C1	F5	109.244	H3	C1	F6	109.244
H4	C2	F7	109.244	H4	C2	F8	109.244
F5	C1	F6	108.565	F7	C2	F8	108.565

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

using model chemistry: wB97X-D/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	0.424
2	C	0.424
3	H	0.172
4	H	0.172
5	F	-0.298
6	F	-0.298
7	F	-0.298
8	F	-0.298

	x	y	z
x	3.946	0.085	0.000
y	0.085	4.154	0.000
z	0.000	0.000	4.333

<r²>	143.783
(<r²>)^1/2	11.991

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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