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	hartrees
Energy at 0K	-1147.196642
Energy at 298.15K	-1147.197038
HF Energy	-1147.196642
Nuclear repulsion energy	325.599906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1839	1770	0.00
2	A_g	1036	998	0.00
3	A_g	605	582	0.00
4	A_g	423	407	0.00
5	A_g	281	270	0.00
6	A_u	388	374	16.79
7	A_u	14	13	0.92
8	B_g	730	703	0.00
9	B_u	1874	1804	445.56
10	B_u	750	722	526.12
11	B_u	486	468	9.63
12	B_u	203	196	3.87

Atom	x (Å)	y (Å)
C1	-0.098	0.729
C2	0.098	-0.729
O3	-1.273	1.217
O4	1.273	-1.217
Cl5	1.273	1.778
Cl6	-1.273	-1.778

	C1	C2	O3	O4	Cl5	Cl6
C1		1.4714	1.2717	2.3808	1.7265	2.7686
C2	1.4714		2.3808	1.2717	2.7686	1.7265
O3	1.2717	2.3808		3.5221	2.6065	2.9954
O4	2.3808	1.2717	3.5221		2.9954	2.6065
Cl5	1.7265	2.7686	2.6065	2.9954		4.3734
Cl6	2.7686	1.7265	2.9954	2.6065	4.3734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.259	C1	C2	Cl6	119.732
C2	C1	O3	120.259	C2	C1	Cl5	119.732
O3	C1	Cl5	120.009	O4	C2	Cl6	120.009

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

using model chemistry: B3LYP/Def2TZVPP

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	0.176
2	C	0.176
3	O	-0.143
4	O	-0.143
5	Cl	-0.034
6	Cl	-0.034

	x	y	z
x	10.082	2.078	0.000
y	2.078	8.993	0.000
z	0.000	0.000	4.772

<r²>	246.100
(<r²>)^1/2	15.688