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	hartrees
Energy at 0K	-1146.926283
Energy at 298.15K	-1146.926796
HF Energy	-1146.926283
Nuclear repulsion energy	325.935082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1915	1817	0.00
2	A_g	1104	1047	0.00
3	A_g	628	595	0.00
4	A_g	438	415	0.00
5	A_g	292	277	0.00
6	A_u	391	371	21.98
7	A_u	38	36	0.80
8	B_g	732	694	0.00
9	B_u	1939	1839	433.33
10	B_u	795	754	527.09
11	B_u	505	479	7.24
12	B_u	210	199	4.14

Atom	x (Å)	y (Å)
C1	-0.170	0.759
C2	0.170	-0.759
O3	-1.272	1.192
O4	1.272	-1.192
Cl5	1.272	1.758
Cl6	-1.272	-1.758

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5550	1.1839	2.4258	1.7542	2.7469
C2	1.5550		2.4258	1.1839	2.7469	1.7542
O3	1.1839	2.4258		3.4863	2.6059	2.9495
O4	2.4258	1.1839	3.4863		2.9495	2.6059
Cl5	1.7542	2.7469	2.6059	2.9495		4.3390
Cl6	2.7469	1.7542	2.9495	2.6059	4.3390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.109	C1	C2	Cl6	112.071
C2	C1	O3	124.109	C2	C1	Cl5	112.071
O3	C1	Cl5	123.820	O4	C2	Cl6	123.820

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

using model chemistry: wB97X-D/6-31G*

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	0.246
2	C	0.246
3	O	-0.305
4	O	-0.305
5	Cl	0.059
6	Cl	0.059

	x	y	z
x	9.011	2.125	0.000
y	2.125	7.551	0.000
z	0.000	0.000	3.250

<r²>	245.255
(<r²>)^1/2	15.661