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	hartrees
Energy at 0K	-1146.988597
Energy at 298.15K
HF Energy	-1146.988597
Nuclear repulsion energy	319.897690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1761	1752	0.00
2	A_g	966	961	0.00
3	A_g	572	569	0.00
4	A_g	394	392	0.00
5	A_g	268	266	0.00
6	A_u	364	362	14.50
7	A_u	11i	11i	0.70
8	B_g	676	672	0.00
9	B_u	1798	1788	428.66
10	B_u	704	700	509.87
11	B_u	454	452	16.38
12	B_u	195	194	3.36

Atom	x (Å)	y (Å)
C1	-0.180	0.766
C2	0.180	-0.766
O3	-1.295	1.208
O4	1.295	-1.208
Cl5	1.295	1.796
Cl6	-1.295	-1.796

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5726	1.2003	2.4637	1.7991	2.7937
C2	1.5726		2.4637	1.2003	2.7937	1.7991
O3	1.2003	2.4637		3.5423	2.6567	3.0035
O4	2.4637	1.2003	3.5423		3.0035	2.6567
Cl5	1.7991	2.7937	2.6567	3.0035		4.4283
Cl6	2.7937	1.7991	3.0035	2.6567	4.4283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.823	C1	C2	Cl6	111.728
C2	C1	O3	124.823	C2	C1	Cl5	111.728
O3	C1	Cl5	123.448	O4	C2	Cl6	123.448

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

using model chemistry: BLYP/6-31+G**

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	0.131
2	C	0.131
3	O	-0.240
4	O	-0.240
5	Cl	0.110
6	Cl	0.110

	x	y	z
x	11.126	2.543	0.000
y	2.543	9.936	0.000
z	0.000	0.000	4.835

<r²>	254.406
(<r²>)^1/2	15.950