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	hartrees
Energy at 0K	-1141.021221
Energy at 298.15K	-1141.021821
HF Energy	-1141.021221
Nuclear repulsion energy	326.034150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1804	1731	0.00
2	A_g	1012	972	0.00
3	A_g	622	597	0.00
4	A_g	427	410	0.00
5	A_g	302	290	0.00
6	A_u	430	413	14.94
7	A_u	66	64	0.36
8	B_g	779	748	0.00
9	B_u	1829	1755	310.04
10	B_u	764	733	470.84
11	B_u	489	469	8.40
12	B_u	215	206	7.15

Atom	x (Å)	y (Å)
C1	-0.174	0.749
C2	0.174	-0.749
O3	-1.292	1.194
O4	1.292	-1.194
Cl5	1.292	1.717
Cl6	-1.292	-1.717

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5376	1.2040	2.4338	1.7566	2.7074
C2	1.5376		2.4338	1.2040	2.7074	1.7566
O3	1.2040	2.4338		3.5188	2.6371	2.9104
O4	2.4338	1.2040	3.5188		2.9104	2.6371
Cl5	1.7566	2.7074	2.6371	2.9104		4.2974
Cl6	2.7074	1.7566	2.9104	2.6371	4.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.743	C1	C2	Cl6	110.370
C2	C1	O3	124.743	C2	C1	Cl5	110.370
O3	C1	Cl5	124.888	O4	C2	Cl6	124.888

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

using model chemistry: PBE1PBE/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	0.260
2	C	0.260
3	O	-0.357
4	O	-0.357
5	Cl	0.096
6	Cl	0.096

	x	y	z
x	8.792	2.212	0.000
y	2.212	7.040	0.000
z	0.000	0.000	2.738

<r²>	243.421
(<r²>)^1/2	15.602