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	hartrees
Energy at 0K	-1146.653797
Energy at 298.15K	-1146.646802
HF Energy	-1147.034599
Nuclear repulsion energy	324.045182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1869	1794	0.00
2	A_g	1056	1015	0.00
3	A_g	610	586	0.00
4	A_g	422	406	0.00
5	A_g	285	273	0.00
6	A_u	385	370	20.48
7	A_u	31	30	0.56
8	B_g	717	689	0.00
9	B_u	1899	1823	412.00
10	B_u	756	726	522.56
11	B_u	485	466	10.03
12	B_u	205	197	3.77

Atom	x (Å)	y (Å)
C1	-0.175	0.758
C2	0.175	-0.758
O3	-1.280	1.193
O4	1.280	-1.193
Cl5	1.280	1.770
Cl6	-1.280	-1.770

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5567	1.1872	2.4344	1.7724	2.7589
C2	1.5567		2.4344	1.1872	2.7589	1.7724
O3	1.1872	2.4344		3.4997	2.6243	2.9629
O4	2.4344	1.1872	3.4997		2.9629	2.6243
Cl5	1.7724	2.7589	2.6243	2.9629		4.3684
Cl6	2.7589	1.7724	2.9629	2.6243	4.3684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.098	C1	C2	Cl6	111.956
C2	C1	O3	124.098	C2	C1	Cl5	111.956
O3	C1	Cl5	123.947	O4	C2	Cl6	123.947

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

using model chemistry: G3B3

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	0.250
2	C	0.250
3	O	-0.298
4	O	-0.298
5	Cl	0.048
6	Cl	0.048

<r²>	247.878
(<r²>)^1/2	15.744