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	hartrees
Energy at 0K	-1143.566013
Energy at 298.15K	-1143.566443
HF Energy	-1143.566013
Nuclear repulsion energy	327.621407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1860	1825	0.00
2	A_g	1065	1045	0.00
3	A_g	622	610	0.00
4	A_g	421	413	0.00
5	A_g	289	284	0.00
6	A_u	373	366	15.35
7	A_u	40	40	0.71
8	B_g	710	697	0.00
9	B_u	1885	1849	384.87
10	B_u	777	763	474.03
11	B_u	486	476	6.68
12	B_u	204	200	4.37

Atom	x (Å)	y (Å)
C1	-0.172	0.747
C2	0.172	-0.747
O3	-1.279	1.186
O4	1.279	-1.186
Cl5	1.279	1.723
Cl6	-1.279	-1.723

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5339	1.1907	2.4175	1.7484	2.7069
C2	1.5339		2.4175	1.1907	2.7069	1.7484
O3	1.1907	2.4175		3.4887	2.6134	2.9092
O4	2.4175	1.1907	3.4887		2.9092	2.6134
Cl5	1.7484	2.7069	2.6134	2.9092		4.2914
Cl6	2.7069	1.7484	2.9092	2.6134	4.2914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.589	C1	C2	Cl6	110.953
C2	C1	O3	124.589	C2	C1	Cl5	110.953
O3	C1	Cl5	124.458	O4	C2	Cl6	124.458

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.169
2	C	0.169
3	O	-0.252
4	O	-0.252
5	Cl	0.084
6	Cl	0.084

	x	y	z
x	9.451	2.388	0.000
y	2.388	7.941	0.000
z	0.000	0.000	3.284

<r²>	241.392
(<r²>)^1/2	15.537