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	hartrees
Energy at 0K	-1195.622029
Energy at 298.15K	-1195.625568
HF Energy	-1194.718334
Nuclear repulsion energy	375.604789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3171	3019	0.00
2	A_g	1448	1379	0.00
3	A_g	1379	1314	0.00
4	A_g	1168	1112	0.00
5	A_g	1125	1072	0.00
6	A_g	874	832	0.00
7	A_g	528	503	0.00
8	A_g	384	366	0.00
9	A_g	278	265	0.00
10	A_u	3181	3029	14.47
11	A_u	1366	1301	39.19
12	A_u	1288	1226	32.01
13	A_u	1158	1103	228.28
14	A_u	817	778	188.30
15	A_u	409	389	4.39
16	A_u	378	360	31.89
17	A_u	178	169	1.47
18	A_u	81	77	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.018	0.000	-1.157
H4	-1.018	0.000	1.157
F5	-0.664	-1.119	-1.190
F6	0.664	1.119	1.190
Cl7	-0.840	1.441	-1.361
Cl8	0.840	-1.441	1.361

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5233	1.0922	2.1718	1.3699	2.3458	1.7718	2.6990
C2	1.5233		2.1718	1.0922	2.3458	1.3699	2.6990	1.7718
H3	1.0922	2.1718		3.0820	2.0207	2.6241	2.3598	2.9060
H4	2.1718	1.0922	3.0820		2.6241	2.0207	2.9060	2.3598
F5	1.3699	2.3458	2.0207	2.6241		3.5269	2.5712	2.9786
F6	2.3458	1.3699	2.6241	2.0207	3.5269		2.9786	2.5712
Cl7	1.7718	2.6990	2.3598	2.9060	2.5712	2.9786		4.3044
Cl8	2.6990	1.7718	2.9060	2.3598	2.9786	2.5712	4.3044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.208	C1	C2	F6	108.234
C1	C2	Cl8	109.762	C2	C1	H3	111.208
C2	C1	F5	108.234	C2	C1	Cl7	109.762
H3	C1	F5	109.799	H3	C1	Cl7	108.633
H4	C2	F6	109.799	H4	C2	Cl8	108.633
F5	C1	Cl7	109.182	F6	C2	Cl8	109.182

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

using model chemistry: QCISD/6-31G*

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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