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	hartrees
Energy at 0K	-1145.386581
Energy at 298.15K
HF Energy	-1144.403822
Nuclear repulsion energy	324.874772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1803	1803
2	A_g	1115	1115
3	A_g	625	625
4	A_g	435	435
5	A_g	291	291
6	A_u	384	384
7	A_u	17i	17i
8	B_g	699	699
9	B_u	1821	1821
10	B_u	790	790
11	B_u	501	501
12	B_u	208	208

Atom	x (Å)	y (Å)
C1	-0.159	0.760
C2	0.159	-0.760
O3	-1.277	1.200
O4	1.277	-1.200
Cl5	1.277	1.759
Cl6	-1.277	-1.759

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5519	1.2019	2.4290	1.7494	2.7557
C2	1.5519		2.4290	1.2019	2.7557	1.7494
O3	1.2019	2.4290		3.5044	2.6147	2.9587
O4	2.4290	1.2019	3.5044		2.9587	2.6147
Cl5	1.7494	2.7557	2.6147	2.9587		4.3474
Cl6	2.7557	1.7494	2.9587	2.6147	4.3474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.284	C1	C2	Cl6	113.039
C2	C1	O3	123.284	C2	C1	Cl5	113.039
O3	C1	Cl5	123.677	O4	C2	Cl6	123.677

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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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