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	hartrees
Energy at 0K	-1146.419856
Energy at 298.15K	-1146.420135
HF Energy	-1146.419856
Nuclear repulsion energy	322.959108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1788	1767	0.00
2	A_g	1008	996	0.00
3	A_g	593	586	0.00
4	A_g	408	403	0.00
5	A_g	277	274	0.00
6	A_u	368	363	13.18
7	A_u	8	7	0.85
8	B_g	688	680	0.00
9	B_u	1819	1798	426.25
10	B_u	738	730	502.02
11	B_u	472	467	9.13
12	B_u	197	195	3.64

Atom	x (Å)	y (Å)
C1	-0.173	0.762
C2	0.173	-0.762
O3	-1.287	1.206
O4	1.287	-1.206
Cl5	1.287	1.765
Cl6	-1.287	-1.765

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5621	1.1995	2.4508	1.7720	2.7614
C2	1.5621		2.4508	1.1995	2.7614	1.7720
O3	1.1995	2.4508		3.5285	2.6344	2.9716
O4	2.4508	1.1995	3.5285		2.9716	2.6344
Cl5	1.7720	2.7614	2.6344	2.9716		4.3693
Cl6	2.7614	1.7720	2.9716	2.6344	4.3693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.583	C1	C2	Cl6	111.679
C2	C1	O3	124.583	C2	C1	Cl5	111.679
O3	C1	Cl5	123.738	O4	C2	Cl6	123.738

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

using model chemistry: PBEPBE/6-31+G**

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	0.056
2	C	0.056
3	O	-0.221
4	O	-0.221
5	Cl	0.166
6	Cl	0.166

	x	y	z
x	10.884	2.350	0.000
y	2.350	9.540	0.000
z	0.000	0.000	4.713

<r²>	249.215
(<r²>)^1/2	15.787