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	hartrees
Energy at 0K	-1144.775547
Energy at 298.15K	-1144.775860
HF Energy	-1144.217692
Nuclear repulsion energy	314.562313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1718	1655	0.00
2	A_g	1054	1016	0.00
3	A_g	597	575	0.00
4	A_g	401	386	0.00
5	A_g	269	260	0.00
6	A_u	381	367	23.64
7	A_u	35	34	0.17
8	B_g	689	664	0.00
9	B_u	1730	1667	292.92
10	B_u	710	685	411.34
11	B_u	453	436	9.42
12	B_u	201	193	4.75

Atom	x (Å)	y (Å)
C1	-0.180	0.748
C2	0.180	-0.748
O3	-1.317	1.190
O4	1.317	-1.190
Cl5	1.317	1.849
Cl6	-1.317	-1.849

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5377	1.2201	2.4484	1.8582	2.8345
C2	1.5377		2.4484	1.2201	2.8345	1.8582
O3	1.2201	2.4484		3.5500	2.7146	3.0393
O4	2.4484	1.2201	3.5500		3.0393	2.7146
Cl5	1.8582	2.8345	2.7146	3.0393		4.5398
Cl6	2.8345	1.8582	3.0393	2.7146	4.5398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.803	C1	C2	Cl6	112.829
C2	C1	O3	124.803	C2	C1	Cl5	112.829
O3	C1	Cl5	122.368	O4	C2	Cl6	122.368

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

using model chemistry: QCISD/6-31G

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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