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	hartrees
Energy at 0K	-1146.471121
Energy at 298.15K	-1146.471453
HF Energy	-1146.471121
Nuclear repulsion energy	322.835504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1807	1796	0.00
2	A_g	1005	999	0.00
3	A_g	595	592	0.00
4	A_g	405	403	0.00
5	A_g	278	277	0.00
6	A_u	369	367	12.47
7	A_u	26	26	0.39
8	B_g	702	698	0.00
9	B_u	1833	1822	394.66
10	B_u	730	726	484.07
11	B_u	467	464	10.40
12	B_u	198	197	3.36

Atom	x (Å)	y (Å)
C1	-0.182	0.757
C2	0.182	-0.757
O3	-1.292	1.202
O4	1.292	-1.202
Cl5	1.292	1.762
Cl6	-1.292	-1.762

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5579	1.1956	2.4515	1.7829	2.7527
C2	1.5579		2.4515	1.1956	2.7527	1.7829
O3	1.1956	2.4515		3.5287	2.6431	2.9635
O4	2.4515	1.1956	3.5287		2.9635	2.6431
Cl5	1.7829	2.7527	2.6431	2.9635		4.3687
Cl6	2.7527	1.7829	2.9635	2.6431	4.3687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.309	C1	C2	Cl6	110.790
C2	C1	O3	125.309	C2	C1	Cl5	110.790
O3	C1	Cl5	123.901	O4	C2	Cl6	123.901

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

using model chemistry: PBEPBE/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	0.061
2	C	0.061
3	O	-0.056
4	O	-0.056
5	Cl	-0.005
6	Cl	-0.005

	x	y	z
x	9.406	2.503	0.000
y	2.503	8.111	0.000
z	0.000	0.000	3.176

<r²>	248.446
(<r²>)^1/2	15.762