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	hartrees
Energy at 0K	-1146.820075
Energy at 298.15K	-1146.820273
HF Energy	-1146.820075
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1728	1728	0.00
2	A_g	962	962	0.00
3	A_g	578	578	0.00
4	A_g	386	386	0.00
5	A_g	266	266	0.00
6	A_u	370	370	17.80
7	A_u	22	22	0.14
8	B_g	679	679	0.00
9	B_u	1756	1756	345.51
10	B_u	682	682	440.42
11	B_u	437	437	17.21
12	B_u	201	201	3.75

Atom	x (Å)	y (Å)
C1	-0.194	0.742
C2	0.194	-0.742
O3	-1.320	1.193
O4	1.320	-1.193
Cl5	1.320	1.827
Cl6	-1.320	-1.827

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5348	1.2125	2.4571	1.8619	2.8048
C2	1.5348		2.4571	1.2125	2.8048	1.8619
O3	1.2125	2.4571		3.5580	2.7145	3.0195
O4	2.4571	1.2125	3.5580		3.0195	2.7145
Cl5	1.8619	2.8048	2.7145	3.0195		4.5069
Cl6	2.8048	1.8619	3.0195	2.7145	4.5069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.457	C1	C2	Cl6	110.962
C2	C1	O3	126.457	C2	C1	Cl5	110.962
O3	C1	Cl5	122.581	O4	C2	Cl6	122.581

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

using model chemistry: B97D3/6-31G

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	0.127
2	C	0.127
3	O	-0.246
4	O	-0.246
5	Cl	0.119
6	Cl	0.119

	x	y	z
x	10.015	3.059	0.000
y	3.059	8.362	0.000
z	0.000	0.000	2.564

<r²>	260.511
(<r²>)^1/2	16.140