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	hartrees
Energy at 0K	-1144.485816
Energy at 298.15K	-1144.486540
HF Energy	-1144.485816
Nuclear repulsion energy	328.389114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2038	1856	0.00
2	A_g	1217	1108	0.00
3	A_g	668	609	0.00
4	A_g	476	433	0.00
5	A_g	308	281	0.00
6	A_u	432	393	27.65
7	A_u	21	20	1.09
8	B_g	806	734	0.00
9	B_u	2053	1870	550.06
10	B_u	844	768	558.92
11	B_u	541	493	8.58
12	B_u	218	198	4.77

Atom	x (Å)	y (Å)
C1	-0.168	0.755
C2	0.168	-0.755
O3	-1.252	1.176
O4	1.252	-1.176
Cl5	1.252	1.768
Cl6	-1.252	-1.768

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5476	1.1629	2.3972	1.7439	2.7461
C2	1.5476		2.3972	1.1629	2.7461	1.7439
O3	1.1629	2.3972		3.4356	2.5732	2.9437
O4	2.3972	1.1629	3.4356		2.9437	2.5732
Cl5	1.7439	2.7461	2.5732	2.9437		4.3324
Cl6	2.7461	1.7439	2.9437	2.5732	4.3324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.742	C1	C2	Cl6	112.948
C2	C1	O3	123.742	C2	C1	Cl5	112.948
O3	C1	Cl5	123.310	O4	C2	Cl6	123.310

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

using model chemistry: HF/aug-cc-pVDZ

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	0.443
2	C	0.443
3	O	-0.455
4	O	-0.455
5	Cl	0.012
6	Cl	0.012

	x	y	z
x	9.646	1.498	0.000
y	1.498	8.813	0.000
z	0.000	0.000	5.396

<r²>	243.951
(<r²>)^1/2	15.619