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	hartrees
Energy at 0K	-1195.618946
Energy at 298.15K	-1195.622497
HF Energy	-1194.718495
Nuclear repulsion energy	375.847358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3174	2998	0.00
2	A_g	1452	1371	0.00
3	A_g	1382	1305	0.00
4	A_g	1172	1107	0.00
5	A_g	1131	1068	0.00
6	A_g	877	829	0.00
7	A_g	530	500	0.00
8	A_g	386	364	0.00
9	A_g	279	263	0.00
10	A_u	3185	3007	13.74
11	A_u	1369	1293	39.77
12	A_u	1290	1218	31.76
13	A_u	1165	1100	227.30
14	A_u	821	775	185.92
15	A_u	410	387	4.62
16	A_u	379	358	31.96
17	A_u	178	168	1.44
18	A_u	82	77	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.018	0.000	-1.156
H4	-1.018	0.000	1.156
F5	-0.663	-1.118	-1.190
F6	0.663	1.118	1.190
Cl7	-0.839	1.439	-1.361
Cl8	0.839	-1.439	1.361

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5227	1.0919	2.1706	1.3686	2.3444	1.7706	2.6978
C2	1.5227		2.1706	1.0919	2.3444	1.3686	2.6978	1.7706
H3	1.0919	2.1706		3.0804	2.0194	2.6223	2.3587	2.9043
H4	2.1706	1.0919	3.0804		2.6223	2.0194	2.9043	2.3587
F5	1.3686	2.3444	2.0194	2.6223		3.5242	2.5691	2.9772
F6	2.3444	1.3686	2.6223	2.0194	3.5242		2.9772	2.5691
Cl7	1.7706	2.6978	2.3587	2.9043	2.5691	2.9772		4.3021
Cl8	2.6978	1.7706	2.9043	2.3587	2.9772	2.5691	4.3021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.166	C1	C2	F6	108.240
C1	C2	Cl8	109.779	C2	C1	H3	111.166
C2	C1	F5	108.240	C2	C1	Cl7	109.779
H3	C1	F5	109.806	H3	C1	Cl7	108.647
H4	C2	F6	109.806	H4	C2	Cl8	108.647
F5	C1	Cl7	109.180	F6	C2	Cl8	109.180

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

using model chemistry: CCSD/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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