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	hartrees
Energy at 0K	-1147.051043
Energy at 298.15K	-1147.051557
HF Energy	-1147.051043
Nuclear repulsion energy	327.244421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1905	1808	0.00
2	A_g	1099	1043	0.00
3	A_g	630	598	0.00
4	A_g	437	415	0.00
5	A_g	294	279	0.00
6	A_u	388	369	20.15
7	A_u	40	38	0.76
8	B_g	730	693	0.00
9	B_u	1931	1833	426.57
10	B_u	792	752	521.64
11	B_u	503	478	7.09
12	B_u	211	200	3.98

Atom	x (Å)	y (Å)
C1	-0.170	0.755
C2	0.170	-0.755
O3	-1.271	1.188
O4	1.271	-1.188
Cl5	1.271	1.742
Cl6	-1.271	-1.742

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5480	1.1835	2.4188	1.7463	2.7292
C2	1.5480		2.4188	1.1835	2.7292	1.7463
O3	1.1835	2.4188		3.4794	2.6022	2.9295
O4	2.4188	1.1835	3.4794		2.9295	2.6022
Cl5	1.7463	2.7292	2.6022	2.9295		4.3128
Cl6	2.7292	1.7463	2.9295	2.6022	4.3128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.092	C1	C2	Cl6	111.741
C2	C1	O3	124.092	C2	C1	Cl5	111.741
O3	C1	Cl5	124.168	O4	C2	Cl6	124.168

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

using model chemistry: B1B95/6-31G*

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	0.231
2	C	0.231
3	O	-0.301
4	O	-0.301
5	Cl	0.070
6	Cl	0.070

	x	y	z
x	9.050	2.150	0.000
y	2.150	7.593	0.000
z	0.000	0.000	3.251

<r²>	242.917
(<r²>)^1/2	15.586