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	hartrees
Energy at 0K	-71.729061
Energy at 298.15K	-71.729753
HF Energy	-71.729061
Nuclear repulsion energy	109.050257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2028	1832	0.00
2	A_g	1228	1109	0.00
3	A_g	672	607	0.00
4	A_g	477	431	0.00
5	A_g	307	277	0.00
6	A_u	427	385	33.30
7	A_u	18	16	1.19
8	B_g	791	714	0.00
9	B_u	2040	1843	600.58
10	B_u	858	775	565.52
11	B_u	544	491	11.50
12	B_u	217	196	4.33

Atom	x (Å)	y (Å)
C1	-0.167	0.764
C2	0.167	-0.764
O3	-1.257	1.186
O4	1.257	-1.186
Cl5	1.257	1.775
Cl6	-1.257	-1.775

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5633	1.1691	2.4140	1.7469	2.7631
C2	1.5633		2.4140	1.1691	2.7631	1.7469
O3	1.1691	2.4140		3.4561	2.5827	2.9608
O4	2.4140	1.1691	3.4561		2.9608	2.5827
Cl5	1.7469	2.7631	2.5827	2.9608		4.3507
Cl6	2.7631	1.7469	2.9608	2.5827	4.3507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.486	C1	C2	Cl6	113.059
C2	C1	O3	123.486	C2	C1	Cl5	113.059
O3	C1	Cl5	123.456	O4	C2	Cl6	123.456

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

using model chemistry: HF/CEP-121G*

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	0.318
2	C	0.318
3	O	-0.237
4	O	-0.237
5	Cl	-0.082
6	Cl	-0.082

	x	y	z
x	8.804	1.651	0.000
y	1.651	7.347	0.000
z	0.000	0.000	3.700

<r²>	136.166
(<r²>)^1/2	11.669