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	hartrees
Energy at 0K	-1133.369977
Energy at 298.15K	-1133.369794
HF Energy	-1133.369977
Nuclear repulsion energy	311.145686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1827	1669	0.00
2	A_g	979	894	0.00
3	A_g	598	547	0.00
4	A_g	388	355	0.00
5	A_g	253	231	0.00
6	A_u	326	298	8.68
7	A_u	35	32	0.68
8	B_g	619	565	0.00
9	B_u	1839	1680	110.86
10	B_u	747	682	330.11
11	B_u	446	407	8.70
12	B_u	165	151	2.40

Atom	x (Å)	y (Å)
C1	-0.207	0.770
C2	0.207	-0.770
O3	-1.355	1.245
O4	1.355	-1.245
Cl5	1.355	1.802
Cl6	-1.355	-1.802

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5939	1.2429	2.5492	1.8718	2.8164
C2	1.5939		2.5492	1.2429	2.8164	1.8718
O3	1.2429	2.5492		3.6805	2.7661	3.0474
O4	2.5492	1.2429	3.6805		3.0474	2.7661
Cl5	1.8718	2.8164	2.7661	3.0474		4.5089
Cl6	2.8164	1.8718	3.0474	2.7661	4.5089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.529	C1	C2	Cl6	108.448
C2	C1	O3	127.529	C2	C1	Cl5	108.448
O3	C1	Cl5	124.024	O4	C2	Cl6	124.024

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

using model chemistry: PBEPBE/STO-3G

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	0.177
2	C	0.177
3	O	-0.064
4	O	-0.064
5	Cl	-0.113
6	Cl	-0.113

	x	y	z
x	6.260	2.076	0.000
y	2.076	5.071	0.000
z	0.000	0.000	0.881

<r²>	262.528
(<r²>)^1/2	16.203