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	hartrees
Energy at 0K	-1195.660526
Energy at 298.15K	-1195.664225
HF Energy	-1194.841922
Nuclear repulsion energy	378.559532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3277	3032	0.00
2	A_g	1515	1402	0.00
3	A_g	1428	1321	0.00
4	A_g	1218	1127	0.00
5	A_g	1167	1079	0.00
6	A_g	902	834	0.00
7	A_g	551	510	0.00
8	A_g	403	373	0.00
9	A_g	288	267	0.00
10	A_u	3287	3042	16.29
11	A_u	1423	1317	40.04
12	A_u	1337	1237	43.65
13	A_u	1216	1125	291.85
14	A_u	845	782	225.39
15	A_u	432	400	4.64
16	A_u	395	365	33.44
17	A_u	185	171	1.65
18	A_u	80	74	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.010	0.000	-1.146
H4	-1.010	0.000	1.146
F5	-0.649	-1.093	-1.194
F6	0.649	1.093	1.194
Cl7	-0.825	1.439	-1.357
Cl8	0.825	-1.439	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5177	1.0815	2.1561	1.3439	2.3305	1.7630	2.6882
C2	1.5177		2.1561	1.0815	2.3305	1.3439	2.6882	1.7630
H3	1.0815	2.1561		3.0551	1.9871	2.6084	2.3410	2.8929
H4	2.1561	1.0815	3.0551		2.6084	1.9871	2.8929	2.3410
F5	1.3439	2.3305	1.9871	2.6084		3.4887	2.5437	2.9661
F6	2.3305	1.3439	2.6084	1.9871	3.4887		2.9661	2.5437
Cl7	1.7630	2.6882	2.3410	2.8929	2.5437	2.9661		4.2854
Cl8	2.6882	1.7630	2.8929	2.3410	2.9661	2.5437	4.2854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.983	C1	C2	F6	108.906
C1	C2	Cl8	109.822	C2	C1	H3	110.983
C2	C1	F5	108.906	C2	C1	Cl7	109.822
H3	C1	F5	109.549	H3	C1	Cl7	108.384
H4	C2	F6	109.549	H4	C2	Cl8	108.384
F5	C1	Cl7	109.173	F6	C2	Cl8	109.173

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

using model chemistry: CISD/6-311G*

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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