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	hartrees
Energy at 0K	-1145.644164
Energy at 298.15K
HF Energy	-1144.522540
Nuclear repulsion energy	324.400776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1813	1734
2	A_g	1085	1037
3	A_g	618	591
4	A_g	430	411
5	A_g	286	274
6	A_u	375	359
7	A_u	23i	22i
8	B_g	696	665
9	B_u	1836	1755
10	B_u	771	737
11	B_u	497	475
12	B_u	205	196

Atom	x (Å)	y (Å)
C1	-0.170	0.758
C2	0.170	-0.758
O3	-1.277	1.191
O4	1.277	-1.191
Cl5	1.277	1.771
Cl6	-1.277	-1.771

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5536	1.1888	2.4279	1.7666	2.7602
C2	1.5536		2.4279	1.1888	2.7602	1.7666
O3	1.1888	2.4279		3.4932	2.6193	2.9619
O4	2.4279	1.1888	3.4932		2.9619	2.6193
Cl5	1.7666	2.7602	2.6193	2.9619		4.3664
Cl6	2.7602	1.7666	2.9619	2.6193	4.3664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.045	C1	C2	Cl6	112.314
C2	C1	O3	124.045	C2	C1	Cl5	112.314
O3	C1	Cl5	123.640	O4	C2	Cl6	123.640

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

using model chemistry: CCSD(T)=FULL/TZVP

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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