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	hartrees
Energy at 0K	-1146.849229
Energy at 298.15K	-1146.849669
HF Energy	-1146.849229
Nuclear repulsion energy	325.756922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1864	1790	0.00
2	A_g	1077	1034	0.00
3	A_g	619	595	0.00
4	A_g	431	414	0.00
5	A_g	287	276	0.00
6	A_u	388	372	17.15
7	A_u	17	16	1.03
8	B_g	721	692	0.00
9	B_u	1893	1817	463.87
10	B_u	779	748	524.16
11	B_u	498	478	6.94
12	B_u	203	195	4.07

Atom	x (Å)	y (Å)
C1	-0.168	0.759
C2	0.168	-0.759
O3	-1.273	1.196
O4	1.273	-1.196
Cl5	1.273	1.756
Cl6	-1.273	-1.756

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5548	1.1880	2.4286	1.7523	2.7473
C2	1.5548		2.4286	1.1880	2.7473	1.7523
O3	1.1880	2.4286		3.4931	2.6064	2.9524
O4	2.4286	1.1880	3.4931		2.9524	2.6064
Cl5	1.7523	2.7473	2.6064	2.9524		4.3381
Cl6	2.7473	1.7523	2.9524	2.6064	4.3381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.067	C1	C2	Cl6	112.211
C2	C1	O3	124.067	C2	C1	Cl5	112.211
O3	C1	Cl5	123.723	O4	C2	Cl6	123.723

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

using model chemistry: B3PW91/6-31+G**

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	0.065
2	C	0.065
3	O	-0.236
4	O	-0.236
5	Cl	0.171
6	Cl	0.171

	x	y	z
x	10.200	2.061	0.000
y	2.061	8.756	0.000
z	0.000	0.000	4.482

<r²>	245.673
(<r²>)^1/2	15.674