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	hartrees
Energy at 0K	-1145.780790
Energy at 298.15K	-1145.781246
HF Energy	-1144.559616
Nuclear repulsion energy	325.649525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1816	1722
2	A_g	1092	1036
3	A_g	616	584
4	A_g	429	407
5	A_g	286	271
6	A_u	386	366
7	A_u	21	20
8	B_g	720	683
9	B_u	1834	1740
10	B_u	774	734
11	B_u	493	467
12	B_u	204	194

Atom	x (Å)	y (Å)
C1	-0.171	0.757
C2	0.171	-0.757
O3	-1.277	1.193
O4	1.277	-1.193
Cl5	1.277	1.752
Cl6	-1.277	-1.752

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5520	1.1891	2.4285	1.7563	2.7419
C2	1.5520		2.4285	1.1891	2.7419	1.7563
O3	1.1891	2.4285		3.4950	2.6141	2.9449
O4	2.4285	1.1891	3.4950		2.9449	2.6141
Cl5	1.7563	2.7419	2.6141	2.9449		4.3355
Cl6	2.7419	1.7563	2.9449	2.6141	4.3355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.206	C1	C2	Cl6	111.804
C2	C1	O3	124.206	C2	C1	Cl5	111.804
O3	C1	Cl5	123.990	O4	C2	Cl6	123.990

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

using model chemistry: QCISD(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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