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	hartrees
Energy at 0K	-1146.542443
Energy at 298.15K
HF Energy	-1146.542443
Nuclear repulsion energy	322.739093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1792	1772	0.00
2	A_g	984	973	0.00
3	A_g	588	581	0.00
4	A_g	405	401	0.00
5	A_g	274	271	0.00
6	A_u	368	364	13.13
7	A_u	7i	7i	0.70
8	B_g	693	685	0.00
9	B_u	1826	1806	420.73
10	B_u	726	718	497.05
11	B_u	469	464	13.35
12	B_u	200	198	3.20

Atom	x (Å)	y (Å)
C1	-0.181	0.760
C2	0.181	-0.760
O3	-1.287	1.200
O4	1.287	-1.200
Cl5	1.287	1.773
Cl6	-1.287	-1.773

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5632	1.1899	2.4493	1.7837	2.7636
C2	1.5632		2.4493	1.1899	2.7636	1.7837
O3	1.1899	2.4493		3.5194	2.6371	2.9726
O4	2.4493	1.1899	3.5194		2.9726	2.6371
Cl5	1.7837	2.7636	2.6371	2.9726		4.3812
Cl6	2.7636	1.7837	2.9726	2.6371	4.3812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.114	C1	C2	Cl6	111.156
C2	C1	O3	125.114	C2	C1	Cl5	111.156
O3	C1	Cl5	123.730	O4	C2	Cl6	123.730

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

using model chemistry: PBEPBE/TZVP

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	0.110
2	C	0.110
3	O	-0.101
4	O	-0.101
5	Cl	-0.009
6	Cl	-0.009

	x	y	z
x	10.358	2.412	0.000
y	2.412	8.799	0.000
z	0.000	0.000	4.145

<r²>	249.714
(<r²>)^1/2	15.802