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	hartrees
Energy at 0K	-1145.902009
Energy at 298.15K	-1145.902517
HF Energy	-1144.560726
Nuclear repulsion energy	326.899755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1828	1750
2	A_g	1105	1057
3	A_g	623	596
4	A_g	435	416
5	A_g	290	278
6	A_u	396	379
7	A_u	25	24
8	B_g	739	707
9	B_u	1847	1767
10	B_u	784	750
11	B_u	499	477
12	B_u	206	198

Atom	x (Å)	y (Å)
C1	-0.169	0.753
C2	0.169	-0.753
O3	-1.272	1.188
O4	1.272	-1.188
Cl5	1.272	1.745
Cl6	-1.272	-1.745

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5432	1.1860	2.4176	1.7496	2.7305
C2	1.5432		2.4176	1.1860	2.7305	1.7496
O3	1.1860	2.4176		3.4816	2.6045	2.9331
O4	2.4176	1.1860	3.4816		2.9331	2.6045
Cl5	1.7496	2.7305	2.6045	2.9331		4.3188
Cl6	2.7305	1.7496	2.9331	2.6045	4.3188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.190	C1	C2	Cl6	111.887
C2	C1	O3	124.190	C2	C1	Cl5	111.887
O3	C1	Cl5	123.923	O4	C2	Cl6	123.923

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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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