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	hartrees
Energy at 0K	-1147.153435
Energy at 298.15K	-1147.153851
HF Energy	-1147.153435
Nuclear repulsion energy	324.113836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1863	1801	0.00
2	A_g	1031	997	0.00
3	A_g	604	584	0.00
4	A_g	420	406	0.00
5	A_g	280	271	0.00
6	A_u	386	373	18.67
7	A_u	30	29	0.50
8	B_g	724	700	0.00
9	B_u	1896	1833	467.03
10	B_u	736	712	561.71
11	B_u	483	467	15.02
12	B_u	204	197	3.95

Atom	x (Å)	y (Å)
C1	-0.180	0.759
C2	0.180	-0.759
O3	-1.276	1.191
O4	1.276	-1.191
Cl5	1.276	1.777
Cl6	-1.276	-1.777

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5602	1.1779	2.4337	1.7773	2.7631
C2	1.5602		2.4337	1.1779	2.7631	1.7773
O3	1.1779	2.4337		3.4909	2.6191	2.9682
O4	2.4337	1.1779	3.4909		2.9682	2.6191
Cl5	1.7773	2.7631	2.6191	2.9682		4.3764
Cl6	2.7631	1.7773	2.9682	2.6191	4.3764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.865	C1	C2	Cl6	111.601
C2	C1	O3	124.865	C2	C1	Cl5	111.601
O3	C1	Cl5	123.534	O4	C2	Cl6	123.534

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

using model chemistry: B3LYP/6-311G**

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	0.177
2	C	0.177
3	O	-0.176
4	O	-0.176
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	9.602	2.654	0.000
y	2.654	8.117	0.000
z	0.000	0.000	3.127

<r²>	248.897
(<r²>)^1/2	15.776