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	hartrees
Energy at 0K	-1146.936356
Energy at 298.15K	-1146.936614
HF Energy	-1146.936356
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1814	1779	0.00
2	A_g	994	975	0.00
3	A_g	586	574	0.00
4	A_g	403	395	0.00
5	A_g	277	271	0.00
6	A_u	370	362	17.08
7	A_u	14	14	0.47
8	B_g	693	679	0.00
9	B_u	1845	1809	388.26
10	B_u	719	705	512.28
11	B_u	463	454	17.99
12	B_u	203	199	3.41

Atom	x (Å)	y (Å)
C1	-0.180	0.761
C2	0.180	-0.761
O3	-1.289	1.203
O4	1.289	-1.203
Cl5	1.289	1.772
Cl6	-1.289	-1.772

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5636	1.1937	2.4522	1.7833	2.7648
C2	1.5636		2.4522	1.1937	2.7648	1.7833
O3	1.1937	2.4522		3.5259	2.6399	2.9747
O4	2.4522	1.1937	3.5259		2.9747	2.6399
Cl5	1.7833	2.7648	2.6399	2.9747		4.3822
Cl6	2.7648	1.7833	2.9747	2.6399	4.3822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.047	C1	C2	Cl6	111.227
C2	C1	O3	125.047	C2	C1	Cl5	111.227
O3	C1	Cl5	123.726	O4	C2	Cl6	123.726

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

using model chemistry: B97D3/6-31G*

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	0.231
2	C	0.231
3	O	-0.282
4	O	-0.282
5	Cl	0.051
6	Cl	0.051

	x	y	z
x	9.565	2.544	0.000
y	2.544	8.339	0.000
z	0.000	0.000	3.287

<r²>	249.454
(<r²>)^1/2	15.794