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	hartrees
Energy at 0K	-1147.039008
Energy at 298.15K	-1147.039526
HF Energy	-1147.039008
Nuclear repulsion energy	326.160588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1909	1909	0.00
2	A_g	1084	1084	0.00
3	A_g	624	624	0.00
4	A_g	437	437	0.00
5	A_g	289	289	0.00
6	A_u	393	393	19.97
7	A_u	37	37	0.72
8	B_g	740	740	0.00
9	B_u	1934	1934	489.78
10	B_u	777	777	567.81
11	B_u	505	505	8.16
12	B_u	209	209	4.24

Atom	x (Å)	y (Å)
C1	-0.174	0.759
C2	0.174	-0.759
O3	-1.268	1.190
O4	1.268	-1.190
Cl5	1.268	1.763
Cl6	-1.268	-1.763

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5575	1.1756	2.4248	1.7571	2.7489
C2	1.5575		2.4248	1.1756	2.7489	1.7571
O3	1.1756	2.4248		3.4781	2.5995	2.9533
O4	2.4248	1.1756	3.4781		2.9533	2.5995
Cl5	1.7571	2.7489	2.5995	2.9533		4.3431
Cl6	2.7489	1.7571	2.9533	2.5995	4.3431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.453	C1	C2	Cl6	111.918
C2	C1	O3	124.453	C2	C1	Cl5	111.918
O3	C1	Cl5	123.629	O4	C2	Cl6	123.629

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

using model chemistry: wB97X-D/6-311G*

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	0.178
2	C	0.178
3	O	-0.186
4	O	-0.186
5	Cl	0.009
6	Cl	0.009

	x	y	z
x	9.318	2.390	0.000
y	2.390	7.701	0.000
z	0.000	0.000	3.107

<r²>	245.826
(<r²>)^1/2	15.679