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	hartrees
Energy at 0K	-1141.166667
Energy at 298.15K	-1141.167077
HF Energy	-1141.166667
Nuclear repulsion energy	318.726648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1836	1765	0.00
2	A_g	965	928	0.00
3	A_g	597	573	0.00
4	A_g	395	379	0.00
5	A_g	280	270	0.00
6	A_u	415	399	17.57
7	A_u	54	52	0.02
8	B_g	744	715	0.00
9	B_u	1861	1789	335.78
10	B_u	695	668	460.95
11	B_u	448	431	15.07
12	B_u	207	199	6.58

Atom	x (Å)	y (Å)
C1	-0.211	0.733
C2	0.211	-0.733
O3	-1.323	1.174
O4	1.323	-1.174
Cl5	1.323	1.784
Cl6	-1.323	-1.784

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5247	1.1961	2.4467	1.8592	2.7512
C2	1.5247		2.4467	1.1961	2.7512	1.8592
O3	1.1961	2.4467		3.5368	2.7145	2.9579
O4	2.4467	1.1961	3.5368		2.9579	2.7145
Cl5	1.8592	2.7512	2.7145	2.9579		4.4415
Cl6	2.7512	1.8592	2.9579	2.7145	4.4415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.708	C1	C2	Cl6	108.379
C2	C1	O3	127.708	C2	C1	Cl5	108.379
O3	C1	Cl5	123.913	O4	C2	Cl6	123.913

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

using model chemistry: B3PW91/3-21G

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	0.221
2	C	0.221
3	O	-0.319
4	O	-0.319
5	Cl	0.099
6	Cl	0.099

	x	y	z
x	9.096	2.985	0.000
y	2.985	7.408	0.000
z	0.000	0.000	2.162

<r²>	255.262
(<r²>)^1/2	15.977