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	hartrees
Energy at 0K	-1138.739241
Energy at 298.15K	-1138.739927
HF Energy	-1138.739241
Nuclear repulsion energy	322.213625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1990	1802	0.00
2	A_g	1094	991	0.00
3	A_g	642	582	0.00
4	A_g	438	397	0.00
5	A_g	300	272	0.00
6	A_u	453	410	34.02
7	A_u	65	59	0.02
8	B_g	815	738	0.00
9	B_u	2019	1829	400.48
10	B_u	760	688	504.50
11	B_u	494	447	7.50
12	B_u	221	200	8.00

Atom	x (Å)	y (Å)
C1	-0.194	0.732
C2	0.194	-0.732
O3	-1.293	1.153
O4	1.293	-1.153
Cl5	1.293	1.797
Cl6	-1.293	-1.797

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5153	1.1760	2.4010	1.8291	2.7578
C2	1.5153		2.4010	1.1760	2.7578	1.8291
O3	1.1760	2.4010		3.4641	2.6645	2.9502
O4	2.4010	1.1760	3.4641		2.9502	2.6645
Cl5	1.8291	2.7578	2.6645	2.9502		4.4279
Cl6	2.7578	1.8291	2.9502	2.6645	4.4279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.817	C1	C2	Cl6	110.744
C2	C1	O3	125.817	C2	C1	Cl5	110.744
O3	C1	Cl5	123.439	O4	C2	Cl6	123.439

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

using model chemistry: HF/3-21G

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	0.309
2	C	0.309
3	O	-0.415
4	O	-0.415
5	Cl	0.106
6	Cl	0.106

	x	y	z
x	8.407	2.492	0.000
y	2.492	6.667	0.000
z	0.000	0.000	2.039

<r²>	252.987
(<r²>)^1/2	15.906