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	hartrees
Energy at 0K	-1147.060734
Energy at 298.15K	-1147.061251
HF Energy	-1147.060734
Nuclear repulsion energy	327.703309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1909	1824	0.00
2	A_g	1094	1044	0.00
3	A_g	622	594	0.00
4	A_g	441	421	0.00
5	A_g	288	275	0.00
6	A_u	393	376	18.68
7	A_u	27	26	0.86
8	B_g	740	707	0.00
9	B_u	1937	1850	475.84
10	B_u	782	747	537.32
11	B_u	503	480	6.48
12	B_u	207	198	3.92

Atom	x (Å)	y (Å)
C1	-0.170	0.758
C2	0.170	-0.758
O3	-1.265	1.185
O4	1.265	-1.185
Cl5	1.265	1.748
Cl6	-1.265	-1.748

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5535	1.1758	2.4156	1.7434	2.7347
C2	1.5535		2.4156	1.1758	2.7347	1.7434
O3	1.1758	2.4156		3.4672	2.5924	2.9329
O4	2.4156	1.1758	3.4672		2.9329	2.5924
Cl5	1.7434	2.7347	2.5924	2.9329		4.3154
Cl6	2.7347	1.7434	2.9329	2.5924	4.3154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.931	C1	C2	Cl6	111.963
C2	C1	O3	123.931	C2	C1	Cl5	111.963
O3	C1	Cl5	124.106	O4	C2	Cl6	124.106

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

using model chemistry: M06-2X/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	0.195
2	C	0.195
3	O	-0.166
4	O	-0.166
5	Cl	-0.029
6	Cl	-0.029

	x	y	z
x	9.686	2.024	0.000
y	2.024	8.506	0.000
z	0.000	0.000	4.376

<r²>	243.106
(<r²>)^1/2	15.592