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	hartrees
Energy at 0K	-71.547583
Energy at 298.15K	-71.548243
HF Energy	-71.547583
Nuclear repulsion energy	107.211879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1902	1735	0.00
2	A_g	1188	1084	0.00
3	A_g	662	604	0.00
4	A_g	462	422	0.00
5	A_g	298	272	0.00
6	A_u	417	381	38.50
7	A_u	31	29	0.99
8	B_g	765	698	0.00
9	B_u	1912	1745	495.85
10	B_u	815	744	447.86
11	B_u	519	473	10.92
12	B_u	213	195	4.93

Atom	x (Å)	y (Å)
C1	-0.166	0.754
C2	0.166	-0.754
O3	-1.281	1.187
O4	1.281	-1.187
Cl5	1.281	1.817
Cl6	-1.281	-1.817

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5445	1.1963	2.4209	1.7955	2.8028
C2	1.5445		2.4209	1.1963	2.8028	1.7955
O3	1.1963	2.4209		3.4927	2.6391	3.0036
O4	2.4209	1.1963	3.4927		3.0036	2.6391
Cl5	1.7955	2.8028	2.6391	3.0036		4.4467
Cl6	2.8028	1.7955	3.0036	2.6391	4.4467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.588	C1	C2	Cl6	113.890
C2	C1	O3	123.588	C2	C1	Cl5	113.890
O3	C1	Cl5	122.522	O4	C2	Cl6	122.522

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	0.018
2	C	0.018
3	O	-0.098
4	O	-0.098
5	Cl	0.080
6	Cl	0.080

	x	y	z
x	9.181	1.996	0.000
y	1.996	7.017	0.000
z	0.000	0.000	2.731

<r²>	141.150
(<r²>)^1/2	11.881