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	hartrees
Energy at 0K	-1133.829177
Energy at 298.15K	-1133.828873
HF Energy	-1133.829177
Nuclear repulsion energy	307.961238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1782	1648	0.00
2	A_g	935	865	0.00
3	A_g	571	528	0.00
4	A_g	374	346	0.00
5	A_g	242	224	0.00
6	A_u	315	292	8.32
7	A_u	33	31	0.70
8	B_g	596	552	0.00
9	B_u	1800	1665	105.69
10	B_u	715	662	329.87
11	B_u	431	399	7.75
12	B_u	159	147	2.40

Atom	x (Å)	y (Å)
C1	-0.211	0.779
C2	0.211	-0.779
O3	-1.365	1.251
O4	1.365	-1.251
Cl5	1.365	1.831
Cl6	-1.365	-1.831

	C1	C2	O3	O4	Cl5	Cl6
C1		1.6142	1.2469	2.5705	1.8954	2.8540
C2	1.6142		2.5705	1.2469	2.8540	1.8954
O3	1.2469	2.5705		3.7039	2.7914	3.0826
O4	2.5705	1.2469	3.7039		3.0826	2.7914
Cl5	1.8954	2.8540	2.7914	3.0826		4.5684
Cl6	2.8540	1.8954	3.0826	2.7914	4.5684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.436	C1	C2	Cl6	108.550
C2	C1	O3	127.436	C2	C1	Cl5	108.550
O3	C1	Cl5	124.015	O4	C2	Cl6	124.015

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

using model chemistry: BLYP/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	0.183
2	C	0.183
3	O	-0.068
4	O	-0.068
5	Cl	-0.115
6	Cl	-0.115

	x	y	z
x	6.414	2.248	0.000
y	2.248	5.405	0.000
z	0.000	0.000	0.896

<r²>	268.018
(<r²>)^1/2	16.371