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	hartrees
Energy at 0K	-1145.590558
Energy at 298.15K
HF Energy	-1144.432075
Nuclear repulsion energy	326.075627

Atom	x (Å)	y (Å)
C1	-0.172	0.755
C2	0.172	-0.755
O3	-1.277	1.190
O4	1.277	-1.190
Cl5	1.277	1.747
Cl6	-1.277	-1.747

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5494	1.1877	2.4258	1.7556	2.7353
C2	1.5494		2.4258	1.1877	2.7353	1.7556
O3	1.1877	2.4258		3.4914	2.6142	2.9367
O4	2.4258	1.1877	3.4914		2.9367	2.6142
Cl5	1.7556	2.7353	2.6142	2.9367		4.3274
Cl6	2.7353	1.7556	2.9367	2.6142	4.3274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.288	C1	C2	Cl6	111.559
C2	C1	O3	124.288	C2	C1	Cl5	111.559
O3	C1	Cl5	124.154	O4	C2	Cl6	124.154

All results from a given calculation for ClCOClCO (Oxalyl chloride)

using model chemistry: CCSD(T)/6-31G(2df,p)

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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