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	hartrees
Energy at 0K	-72.960488
Energy at 298.15K	-72.960844
HF Energy	-72.960488
Nuclear repulsion energy	105.665235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1744	1744	0.00
2	A_g	1066	1066	0.00
3	A_g	613	613	0.00
4	A_g	422	422	0.00
5	A_g	276	276	0.00
6	A_u	379	379	19.99
7	A_u	18	18	0.57
8	B_g	695	695	0.00
9	B_u	1769	1769	408.32
10	B_u	762	762	446.02
11	B_u	483	483	7.11
12	B_u	198	198	4.05

Atom	x (Å)	y (Å)
C1	-0.177	0.766
C2	0.177	-0.766
O3	-1.308	1.216
O4	1.308	-1.216
Cl5	1.308	1.817
Cl6	-1.308	-1.817

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5723	1.2168	2.4768	1.8190	2.8190
C2	1.5723		2.4768	1.2168	2.8190	1.8190
O3	1.2168	2.4768		3.5719	2.6831	3.0331
O4	2.4768	1.2168	3.5719		3.0331	2.6831
Cl5	1.8190	2.8190	2.6831	3.0331		4.4765
Cl6	2.8190	1.8190	3.0331	2.6831	4.4765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.770	C1	C2	Cl6	112.249
C2	C1	O3	124.770	C2	C1	Cl5	112.249
O3	C1	Cl5	122.981	O4	C2	Cl6	122.981

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

using model chemistry: wB97X-D/CEP-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	-0.160
2	C	-0.160
3	O	0.078
4	O	0.078
5	Cl	0.082
6	Cl	0.082

	x	y	z
x	9.729	2.617	0.000
y	2.617	7.323	0.000
z	0.000	0.000	2.266

<r²>	143.320
(<r²>)^1/2	11.972