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	hartrees
Energy at 0K	-1146.951740
Energy at 298.15K	-1146.952263
HF Energy	-1146.951740
Nuclear repulsion energy	326.792233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1915	1915	0.00
2	A_g	1092	1092	0.00
3	A_g	628	628	0.00
4	A_g	437	437	0.00
5	A_g	290	290	0.00
6	A_u	394	394	18.88
7	A_u	34	34	0.63
8	B_g	746	746	0.00
9	B_u	1938	1938	425.74
10	B_u	785	785	530.17
11	B_u	502	502	6.61
12	B_u	208	208	4.06

Atom	x (Å)	y (Å)
C1	-0.174	0.757
C2	0.174	-0.757
O3	-1.270	1.190
O4	1.270	-1.190
Cl5	1.270	1.751
Cl6	-1.270	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5537	1.1776	2.4238	1.7528	2.7364
C2	1.5537		2.4238	1.1776	2.7364	1.7528
O3	1.1776	2.4238		3.4799	2.6004	2.9403
O4	2.4238	1.1776	3.4799		2.9403	2.6004
Cl5	1.7528	2.7364	2.6004	2.9403		4.3251
Cl6	2.7364	1.7528	2.9403	2.6004	4.3251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.527	C1	C2	Cl6	111.561
C2	C1	O3	124.527	C2	C1	Cl5	111.561
O3	C1	Cl5	123.912	O4	C2	Cl6	123.912

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.264
2	C	0.264
3	O	-0.191
4	O	-0.191
5	Cl	-0.073
6	Cl	-0.073

	x	y	z
x	9.343	2.038	0.000
y	2.038	8.413	0.000
z	0.000	0.000	4.299

<r²>	243.767
(<r²>)^1/2	15.613