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	hartrees
Energy at 0K	-1147.170884
Energy at 298.15K	-1147.171260
HF Energy	-1147.170884
Nuclear repulsion energy	323.846328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1852	1784	0.00
2	A_g	1029	991	0.00
3	A_g	602	580	0.00
4	A_g	420	405	0.00
5	A_g	280	269	0.00
6	A_u	384	370	17.96
7	A_u	9	9	0.76
8	B_g	718	692	0.00
9	B_u	1887	1818	466.68
10	B_u	744	717	528.11
11	B_u	485	467	12.76
12	B_u	205	197	3.50

Atom	x (Å)	y (Å)
C1	-0.180	0.759
C2	0.180	-0.759
O3	-1.277	1.190
O4	1.277	-1.190
Cl5	1.277	1.781
Cl6	-1.277	-1.781

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5606	1.1785	2.4331	1.7792	2.7670
C2	1.5606		2.4331	1.1785	2.7670	1.7792
O3	1.1785	2.4331		3.4903	2.6214	2.9704
O4	2.4331	1.1785	3.4903		2.9704	2.6214
Cl5	1.7792	2.7670	2.6214	2.9704		4.3827
Cl6	2.7670	1.7792	2.9704	2.6214	4.3827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.733	C1	C2	Cl6	111.721
C2	C1	O3	124.733	C2	C1	Cl5	111.721
O3	C1	Cl5	123.546	O4	C2	Cl6	123.546

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

using model chemistry: B3LYPultrafine/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	0.168
2	C	0.168
3	O	-0.148
4	O	-0.148
5	Cl	-0.020
6	Cl	-0.020

	x	y	z
x	9.944	2.233	0.000
y	2.233	8.374	0.000
z	0.000	0.000	4.089

<r²>	249.183
(<r²>)^1/2	15.786