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	hartrees
Energy at 0K	-1145.410890
Energy at 298.15K	-1145.411376
HF Energy	-1144.461579
Nuclear repulsion energy	323.658246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1832	1793
2	A_g	1098	1075
3	A_g	616	603
4	A_g	428	419
5	A_g	290	284
6	A_u	389	381
7	A_u	34	33
8	B_g	722	707
9	B_u	1848	1809
10	B_u	771	755
11	B_u	492	481
12	B_u	207	202

Atom	x (Å)	y (Å)
C1	-0.174	0.761
C2	0.174	-0.761
O3	-1.285	1.200
O4	1.285	-1.200
Cl5	1.285	1.763
Cl6	-1.285	-1.763

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5609	1.1948	2.4437	1.7694	2.7573
C2	1.5609		2.4437	1.1948	2.7573	1.7694
O3	1.1948	2.4437		3.5160	2.6307	2.9624
O4	2.4437	1.1948	3.5160		2.9624	2.6307
Cl5	1.7694	2.7573	2.6307	2.9624		4.3624
Cl6	2.7573	1.7694	2.9624	2.6307	4.3624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.408	C1	C2	Cl6	111.625
C2	C1	O3	124.408	C2	C1	Cl5	111.625
O3	C1	Cl5	123.967	O4	C2	Cl6	123.967

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

using model chemistry: CCSD(T)/cc-pVDZ

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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