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	hartrees
Energy at 0K	-1140.731127
Energy at 298.15K	-1140.731392
HF Energy	-1140.731127
Nuclear repulsion energy	315.643964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1775	1759	0.00
2	A_g	903	895	0.00
3	A_g	577	572	0.00
4	A_g	375	371	0.00
5	A_g	271	268	0.00
6	A_u	396	393	12.90
7	A_u	50	49	0.08
8	B_g	710	703	0.00
9	B_u	1796	1780	293.44
10	B_u	663	657	424.30
11	B_u	426	422	16.43
12	B_u	202	200	5.86

Atom	x (Å)	y (Å)
C1	-0.221	0.733
C2	0.221	-0.733
O3	-1.341	1.183
O4	1.341	-1.183
Cl5	1.341	1.793
Cl6	-1.341	-1.793

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5307	1.2071	2.4717	1.8882	2.7628
C2	1.5307		2.4717	1.2071	2.7628	1.8882
O3	1.2071	2.4717		3.5764	2.7511	2.9754
O4	2.4717	1.2071	3.5764		2.9754	2.7511
Cl5	1.8882	2.7628	2.7511	2.9754		4.4781
Cl6	2.7628	1.8882	2.9754	2.7511	4.4781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	128.681	C1	C2	Cl6	107.360
C2	C1	O3	128.681	C2	C1	Cl5	107.360
O3	C1	Cl5	123.959	O4	C2	Cl6	123.959

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

using model chemistry: PBEPBE/3-21G

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	0.205
2	C	0.205
3	O	-0.287
4	O	-0.287
5	Cl	0.082
6	Cl	0.082

	x	y	z
x	9.543	3.313	0.000
y	3.313	8.018	0.000
z	0.000	0.000	2.207

<r²>	259.089
(<r²>)^1/2	16.096