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	hartrees
Energy at 0K	-1134.025555
Energy at 298.15K	-1134.025309
HF Energy	-1134.025555
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1817	1817	0.00
2	A_g	953	953	0.00
3	A_g	581	581	0.00
4	A_g	381	381	0.00
5	A_g	251	251	0.00
6	A_u	321	321	10.22
7	A_u	27	27	0.80
8	B_g	608	608	0.00
9	B_u	1833	1833	109.75
10	B_u	720	720	347.41
11	B_u	438	438	8.39
12	B_u	171	171	2.76

Atom	x (Å)	y (Å)
C1	-0.211	0.773
C2	0.211	-0.773
O3	-1.358	1.248
O4	1.358	-1.248
Cl5	1.358	1.818
Cl6	-1.358	-1.818

	C1	C2	O3	O4	Cl5	Cl6
C1		1.6019	1.2416	2.5580	1.8852	2.8331
C2	1.6019		2.5580	1.2416	2.8331	1.8852
O3	1.2416	2.5580		3.6883	2.7753	3.0655
O4	2.5580	1.2416	3.6883		3.0655	2.7753
Cl5	1.8852	2.8331	2.7753	3.0655		4.5382
Cl6	2.8331	1.8852	3.0655	2.7753	4.5382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.762	C1	C2	Cl6	108.402
C2	C1	O3	127.762	C2	C1	Cl5	108.402
O3	C1	Cl5	123.836	O4	C2	Cl6	123.836

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

using model chemistry: B97D3/STO-3G

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	0.202
2	C	0.202
3	O	-0.075
4	O	-0.075
5	Cl	-0.128
6	Cl	-0.128

	x	y	z
x	6.337	2.172	0.000
y	2.172	5.263	0.000
z	0.000	0.000	0.887

<r²>	265.238
(<r²>)^1/2	16.286