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	hartrees
Energy at 0K	-73.086176
Energy at 298.15K	-73.086536
HF Energy	-73.086176
Nuclear repulsion energy	106.951128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1844	1781	0.00
2	A_g	1051	1015	0.00
3	A_g	601	581	0.00
4	A_g	417	402	0.00
5	A_g	277	267	0.00
6	A_u	380	367	14.78
7	A_u	29	28	0.90
8	B_g	705	681	0.00
9	B_u	1870	1806	471.13
10	B_u	752	726	521.72
11	B_u	481	465	7.22
12	B_u	200	193	3.11

Atom	x (Å)	y (Å)
C1	-0.175	0.773
C2	0.175	-0.773
O3	-1.291	1.214
O4	1.291	-1.214
Cl5	1.291	1.784
Cl6	-1.291	-1.784

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5843	1.2003	2.4693	1.7812	2.7894
C2	1.5843		2.4693	1.2003	2.7894	1.7812
O3	1.2003	2.4693		3.5448	2.6445	2.9980
O4	2.4693	1.2003	3.5448		2.9980	2.6445
Cl5	1.7812	2.7894	2.6445	2.9980		4.4041
Cl6	2.7894	1.7812	2.9980	2.6445	4.4041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.358	C1	C2	Cl6	111.821
C2	C1	O3	124.358	C2	C1	Cl5	111.821
O3	C1	Cl5	123.820	O4	C2	Cl6	123.820

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

using model chemistry: B3LYP/CEP-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	-0.022
2	C	-0.022
3	O	0.057
4	O	0.057
5	Cl	-0.035
6	Cl	-0.035

	x	y	z
x	9.745	2.419	0.000
y	2.419	8.156	0.000
z	0.000	0.000	3.322

<r²>	139.377
(<r²>)^1/2	11.806