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	hartrees
Energy at 0K	-1145.778645
Energy at 298.15K	-1145.779109
HF Energy	-1144.559887
Nuclear repulsion energy	325.864859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1819	1773
2	A_g	1096	1068
3	A_g	618	602
4	A_g	432	421
5	A_g	287	280
6	A_u	387	377
7	A_u	20	19
8	B_g	722	704
9	B_u	1839	1792
10	B_u	778	758
11	B_u	495	483
12	B_u	204	199

Atom	x (Å)	y (Å)
C1	-0.170	0.757
C2	0.170	-0.757
O3	-1.276	1.193
O4	1.276	-1.193
Cl5	1.276	1.751
Cl6	-1.276	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5522	1.1885	2.4275	1.7542	2.7411
C2	1.5522		2.4275	1.1885	2.7411	1.7542
O3	1.1885	2.4275		3.4930	2.6118	2.9436
O4	2.4275	1.1885	3.4930		2.9436	2.6118
Cl5	1.7542	2.7411	2.6118	2.9436		4.3327
Cl6	2.7411	1.7542	2.9436	2.6118	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.146	C1	C2	Cl6	111.853
C2	C1	O3	124.146	C2	C1	Cl5	111.853
O3	C1	Cl5	124.001	O4	C2	Cl6	124.001

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

using model chemistry: CCSD(T)/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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