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	hartrees
Energy at 0K	-1147.022406
Energy at 298.15K
HF Energy	-1147.022406
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1781	1781	0.00
2	A_g	987	987	0.00
3	A_g	581	581	0.00
4	A_g	401	401	0.00
5	A_g	274	274	0.00
6	A_u	368	368	13.56
7	A_u	25i	25i	0.59
8	B_g	697	697	0.00
9	B_u	1813	1813	413.60
10	B_u	712	712	517.63
11	B_u	460	460	15.45
12	B_u	199	199	3.53

Atom	x (Å)	y (Å)
C1	-0.181	0.761
C2	0.181	-0.761
O3	-1.288	1.204
O4	1.288	-1.204
Cl5	1.288	1.774
Cl6	-1.288	-1.774

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5635	1.1926	2.4528	1.7841	2.7659
C2	1.5635		2.4528	1.1926	2.7659	1.7841
O3	1.1926	2.4528		3.5260	2.6376	2.9783
O4	2.4528	1.1926	3.5260		2.9783	2.6376
Cl5	1.7841	2.7659	2.6376	2.9783		4.3843
Cl6	2.7659	1.7841	2.9783	2.6376	4.3843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.196	C1	C2	Cl6	111.256
C2	C1	O3	125.196	C2	C1	Cl5	111.256
O3	C1	Cl5	123.548	O4	C2	Cl6	123.548

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

using model chemistry: B97D3/aug-cc-pVDZ

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	0.322
2	C	0.322
3	O	-0.324
4	O	-0.324
5	Cl	0.002
6	Cl	0.002

	x	y	z
x	11.298	2.285	0.000
y	2.285	10.637	0.000
z	0.000	0.000	5.840

<r²>	250.008
(<r²>)^1/2	15.812