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	hartrees
Energy at 0K	-1195.115141
Energy at 298.15K	-1195.118425
HF Energy	-1194.577728
Nuclear repulsion energy	363.187790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3182	3053	0.00
2	A_g	1421	1363	0.00
3	A_g	1334	1280	0.00
4	A_g	1151	1104	0.00
5	A_g	1060	1017	0.00
6	A_g	788	756	0.00
7	A_g	494	474	0.00
8	A_g	351	336	0.00
9	A_g	257	247	0.00
10	A_u	3193	3064	3.52
11	A_u	1323	1269	20.09
12	A_u	1269	1217	32.09
13	A_u	1087	1043	153.63
14	A_u	723	694	151.26
15	A_u	372	357	10.16
16	A_u	353	339	39.13
17	A_u	165	158	2.28
18	A_u	74	71	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.004	0.000	-1.190
H4	-1.004	0.000	1.190
F5	-0.715	-1.143	-1.204
F6	0.715	1.143	1.204
Cl7	-0.887	1.512	-1.398
Cl8	0.887	-1.512	1.398

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5226	1.0916	2.1943	1.4189	2.3835	1.8651	2.7816
C2	1.5226		2.1943	1.0916	2.3835	1.4189	2.7816	1.8651
H3	1.0916	2.1943		3.1137	2.0640	2.6688	2.4301	2.9998
H4	2.1943	1.0916	3.1137		2.6688	2.0640	2.9998	2.4301
F5	1.4189	2.3835	2.0640	2.6688		3.6153	2.6674	3.0785
F6	2.3835	1.4189	2.6688	2.0640	3.6153		3.0785	2.6674
Cl7	1.8651	2.7816	2.4301	2.9998	2.6674	3.0785		4.4848
Cl8	2.7816	1.8651	2.9998	2.4301	3.0785	2.6674	4.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.118	C1	C2	F6	108.197
C1	C2	Cl8	109.974	C2	C1	H3	113.118
C2	C1	F5	108.197	C2	C1	Cl7	109.974
H3	C1	F5	109.918	H3	C1	Cl7	107.658
H4	C2	F6	109.918	H4	C2	Cl8	107.658
F5	C1	Cl7	107.855	F6	C2	Cl8	107.855

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

using model chemistry: CCD/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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