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	hartrees
Energy at 0K	-1145.412808
Energy at 298.15K	-1145.413283
HF Energy	-1144.461263
Nuclear repulsion energy	323.451616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1829	1743
2	A_g	1093	1042
3	A_g	614	585
4	A_g	426	406
5	A_g	289	276
6	A_u	388	370
7	A_u	34	32
8	B_g	721	687
9	B_u	1844	1757
10	B_u	768	732
11	B_u	489	466
12	B_u	206	196

Atom	x (Å)	y (Å)
C1	-0.174	0.761
C2	0.174	-0.761
O3	-1.286	1.200
O4	1.286	-1.200
Cl5	1.286	1.763
Cl6	-1.286	-1.763

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5616	1.1954	2.4455	1.7710	2.7583
C2	1.5616		2.4455	1.1954	2.7583	1.7710
O3	1.1954	2.4455		3.5185	2.6329	2.9637
O4	2.4455	1.1954	3.5185		2.9637	2.6329
Cl5	1.7710	2.7583	2.6329	2.9637		4.3648
Cl6	2.7583	1.7710	2.9637	2.6329	4.3648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.460	C1	C2	Cl6	111.565
C2	C1	O3	124.460	C2	C1	Cl5	111.565
O3	C1	Cl5	123.975	O4	C2	Cl6	123.975

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

using model chemistry: QCISD(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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