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	hartrees
Energy at 0K	-1146.492234
Energy at 298.15K	-1146.492756
HF Energy	-1146.492234
Nuclear repulsion energy	327.704483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1900	1819	0.00
2	A_g	1091	1044	0.00
3	A_g	631	604	0.00
4	A_g	437	418	0.00
5	A_g	291	278	0.00
6	A_u	394	377	17.63
7	A_u	34	33	0.60
8	B_g	747	714	0.00
9	B_u	1925	1842	413.18
10	B_u	785	752	520.49
11	B_u	501	480	6.40
12	B_u	206	197	3.99

Atom	x (Å)	y (Å)
C1	-0.173	0.754
C2	0.173	-0.754
O3	-1.270	1.188
O4	1.270	-1.188
Cl5	1.270	1.738
Cl6	-1.270	-1.738

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5471	1.1790	2.4194	1.7467	2.7225
C2	1.5471		2.4194	1.1790	2.7225	1.7467
O3	1.1790	2.4194		3.4776	2.5980	2.9264
O4	2.4194	1.1790	3.4776		2.9264	2.5980
Cl5	1.7467	2.7225	2.5980	2.9264		4.3049
Cl6	2.7225	1.7467	2.9264	2.5980	4.3049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.568	C1	C2	Cl6	111.346
C2	C1	O3	124.568	C2	C1	Cl5	111.346
O3	C1	Cl5	124.086	O4	C2	Cl6	124.086

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.255
2	C	0.255
3	O	-0.194
4	O	-0.194
5	Cl	-0.061
6	Cl	-0.061

	x	y	z
x	9.387	2.070	0.000
y	2.070	8.465	0.000
z	0.000	0.000	4.294

<r²>	242.127
(<r²>)^1/2	15.560