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	hartrees
Energy at 0K	-1147.087007
Energy at 298.15K	-1147.087523
HF Energy	-1147.087007
Nuclear repulsion energy	326.829116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1893	1810	0.00
2	A_g	1082	1035	0.00
3	A_g	621	594	0.00
4	A_g	436	417	0.00
5	A_g	288	275	0.00
6	A_u	394	376	18.26
7	A_u	29	28	0.83
8	B_g	744	711	0.00
9	B_u	1920	1836	462.17
10	B_u	781	747	536.00
11	B_u	502	480	6.99
12	B_u	207	198	3.93

Atom	x (Å)	y (Å)
C1	-0.174	0.758
C2	0.174	-0.758
O3	-1.267	1.189
O4	1.267	-1.189
Cl5	1.267	1.755
Cl6	-1.267	-1.755

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5550	1.1756	2.4220	1.7521	2.7405
C2	1.5550		2.4220	1.1756	2.7405	1.7521
O3	1.1756	2.4220		3.4754	2.5969	2.9439
O4	2.4220	1.1756	3.4754		2.9439	2.5969
Cl5	1.7521	2.7405	2.5969	2.9439		4.3293
Cl6	2.7405	1.7521	2.9439	2.5969	4.3293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.406	C1	C2	Cl6	111.790
C2	C1	O3	124.406	C2	C1	Cl5	111.790
O3	C1	Cl5	123.805	O4	C2	Cl6	123.805

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.179
2	C	0.179
3	O	-0.141
4	O	-0.141
5	Cl	-0.038
6	Cl	-0.038

	x	y	z
x	9.713	2.033	0.000
y	2.033	8.550	0.000
z	0.000	0.000	4.340

<r²>	244.201
(<r²>)^1/2	15.627