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	hartrees
Energy at 0K	-1131.607141
Energy at 298.15K	-1131.607500
HF Energy	-1131.607141
Nuclear repulsion energy	319.730964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2103	1717	0.00
2	A_g	1271	1037	0.00
3	A_g	710	579	0.00
4	A_g	476	388	0.00
5	A_g	290	237	0.00
6	A_u	398	325	22.76
7	A_u	45	37	0.48
8	B_g	744	608	0.00
9	B_u	2107	1721	122.45
10	B_u	910	743	360.15
11	B_u	528	431	26.19
12	B_u	180	147	3.32

Atom	x (Å)	y (Å)
C1	-0.183	0.760
C2	0.183	-0.760
O3	-1.297	1.208
O4	1.297	-1.208
Cl5	1.297	1.795
Cl6	-1.297	-1.795

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5627	1.2016	2.4621	1.8060	2.7872
C2	1.5627		2.4621	1.2016	2.7872	1.8060
O3	1.2016	2.4621		3.5453	2.6604	3.0026
O4	2.4621	1.2016	3.5453		3.0026	2.6604
Cl5	1.8060	2.7872	2.6604	3.0026		4.4292
Cl6	2.7872	1.8060	3.0026	2.6604	4.4292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.406	C1	C2	Cl6	111.457
C2	C1	O3	125.406	C2	C1	Cl5	111.457
O3	C1	Cl5	123.137	O4	C2	Cl6	123.137

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

using model chemistry: HF/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	0.259
2	C	0.259
3	O	-0.130
4	O	-0.130
5	Cl	-0.129
6	Cl	-0.129

	x	y	z
x	5.342	1.367	0.000
y	1.367	3.946	0.000
z	0.000	0.000	0.779

<r²>	253.026
(<r²>)^1/2	15.907