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	hartrees
Energy at 0K	-1146.419864
Energy at 298.15K	-1146.420152
HF Energy	-1146.419864
Nuclear repulsion energy	322.962501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1787	1767	0.00
2	A_g	1008	997	0.00
3	A_g	594	587	0.00
4	A_g	408	404	0.00
5	A_g	277	274	0.00
6	A_u	368	364	13.17
7	A_u	11	11	0.85
8	B_g	688	681	0.00
9	B_u	1819	1798	426.70
10	B_u	739	731	502.21
11	B_u	473	467	8.90
12	B_u	198	196	3.60

Atom	x (Å)	y (Å)
C1	-0.173	0.762
C2	0.173	-0.762
O3	-1.287	1.207
O4	1.287	-1.207
Cl5	1.287	1.765
Cl6	-1.287	-1.765

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5623	1.1996	2.4509	1.7719	2.7615
C2	1.5623		2.4509	1.1996	2.7615	1.7719
O3	1.1996	2.4509		3.5286	2.6343	2.9717
O4	2.4509	1.1996	3.5286		2.9717	2.6343
Cl5	1.7719	2.7615	2.6343	2.9717		4.3693
Cl6	2.7615	1.7719	2.9717	2.6343	4.3693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.576	C1	C2	Cl6	111.687
C2	C1	O3	124.576	C2	C1	Cl5	111.687
O3	C1	Cl5	123.737	O4	C2	Cl6	123.737

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

using model chemistry: PBEPBEultrafine/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	-0.222
4	O	-0.222
5	Cl	0.166
6	Cl	0.166

	x	y	z
x	10.883	2.350	0.000
y	2.350	9.540	0.000
z	0.000	0.000	4.714

<r²>	249.212
(<r²>)^1/2	15.786