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	hartrees
Energy at 0K	-1147.147326
Energy at 298.15K
HF Energy	-1147.147326
Nuclear repulsion energy	320.945506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1755	1749	0.00
2	A_g	945	941	0.00
3	A_g	568	566	0.00
4	A_g	392	390	0.00
5	A_g	264	263	0.00
6	A_u	365	364	13.69
7	A_u	14i	14i	0.55
8	B_g	686	684	0.00
9	B_u	1796	1790	415.13
10	B_u	692	689	508.40
11	B_u	450	448	20.26
12	B_u	195	195	3.25

Atom	x (Å)	y (Å)
C1	-0.185	0.763
C2	0.185	-0.763
O3	-1.292	1.201
O4	1.292	-1.201
Cl5	1.292	1.791
Cl6	-1.292	-1.791

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5708	1.1897	2.4575	1.7995	2.7832
C2	1.5708		2.4575	1.1897	2.7832	1.7995
O3	1.1897	2.4575		3.5272	2.6501	2.9913
O4	2.4575	1.1897	3.5272		2.9913	2.6501
Cl5	1.7995	2.7832	2.6501	2.9913		4.4159
Cl6	2.7832	1.7995	2.9913	2.6501	4.4159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.235	C1	C2	Cl6	111.156
C2	C1	O3	125.235	C2	C1	Cl5	111.156
O3	C1	Cl5	123.609	O4	C2	Cl6	123.609

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

using model chemistry: BLYP/aug-cc-pVTZ

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	0.433
2	C	0.433
3	O	-0.368
4	O	-0.368
5	Cl	-0.065
6	Cl	-0.065

	x	y	z
x	11.672	2.433	0.000
y	2.433	11.136	0.000
z	0.000	0.000	6.123

<r²>	252.841
(<r²>)^1/2	15.901