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	hartrees
Energy at 0K	-1196.274889
Energy at 298.15K	-1196.267809
HF Energy	-1194.714177
Nuclear repulsion energy	377.966509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3341	3341	0.00
2	A_g	1560	1560	0.00
3	A_g	1462	1462	0.00
4	A_g	1245	1245	0.00
5	A_g	1187	1187	0.00
6	A_g	910	910	0.00
7	A_g	560	560	0.00
8	A_g	409	409	0.00
9	A_g	292	292	0.00
10	A_u	3352	3352	16.52
11	A_u	1468	1468	43.61
12	A_u	1364	1364	58.16
13	A_u	1250	1250	314.31
14	A_u	850	850	264.09
15	A_u	439	439	4.03
16	A_u	402	402	37.70
17	A_u	187	187	1.82
18	A_u	83	83	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	-0.001	-0.762
C2	0.001	0.001	0.762
H3	1.004	-0.002	-1.157
H4	-1.004	0.002	1.157
F5	-0.656	-1.084	-1.193
F6	0.656	1.084	1.193
Cl7	-0.827	1.445	-1.366
Cl8	0.827	-1.445	1.366

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5241	1.0793	2.1654	1.3376	2.3302	1.7714	2.7019
C2	1.5241		2.1654	1.0793	2.3302	1.3376	2.7019	1.7714
H3	1.0793	2.1654		3.0635	1.9816	2.6121	2.3433	2.9117
H4	2.1654	1.0793	3.0635		2.6121	1.9816	2.9117	2.3433
F5	1.3376	2.3302	1.9816	2.6121		3.4806	2.5410	2.9794
F6	2.3302	1.3376	2.6121	1.9816	3.4806		2.9794	2.5410
Cl7	1.7714	2.7019	2.3433	2.9117	2.5410	2.9794		4.3073
Cl8	2.7019	1.7714	2.9117	2.3433	2.9794	2.5410	4.3073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.413	C1	C2	F6	108.851
C1	C2	Cl8	109.916	C2	C1	H3	111.413
C2	C1	F5	108.851	C2	C1	Cl7	109.916
H3	C1	F5	109.681	H3	C1	Cl7	108.107
H4	C2	F6	109.681	H4	C2	Cl8	108.107
F5	C1	Cl7	108.836	F6	C2	Cl8	108.836

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: CBS-Q

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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