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	hartrees
Energy at 0K	-1147.017026
Energy at 298.15K	-1147.017542
HF Energy	-1147.017026
Nuclear repulsion energy	327.544749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1900	1814	0.00
2	A_g	1087	1038	0.00
3	A_g	630	601	0.00
4	A_g	436	416	0.00
5	A_g	290	277	0.00
6	A_u	394	377	17.88
7	A_u	33	32	0.60
8	B_g	747	713	0.00
9	B_u	1925	1838	415.70
10	B_u	782	746	523.86
11	B_u	500	478	6.56
12	B_u	206	197	3.99

Atom	x (Å)	y (Å)
C1	-0.174	0.754
C2	0.174	-0.754
O3	-1.269	1.188
O4	1.269	-1.188
Cl5	1.269	1.741
Cl6	-1.269	-1.741

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5474	1.1783	2.4193	1.7486	2.7249
C2	1.5474		2.4193	1.1783	2.7249	1.7486
O3	1.1783	2.4193		3.4768	2.5984	2.9288
O4	2.4193	1.1783	3.4768		2.9288	2.5984
Cl5	1.7486	2.7249	2.5984	2.9288		4.3094
Cl6	2.7249	1.7486	2.9288	2.5984	4.3094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.591	C1	C2	Cl6	111.382
C2	C1	O3	124.591	C2	C1	Cl5	111.382
O3	C1	Cl5	124.027	O4	C2	Cl6	124.027

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.261
2	C	0.261
3	O	-0.199
4	O	-0.199
5	Cl	-0.062
6	Cl	-0.062

	x	y	z
x	9.388	2.078	0.000
y	2.078	8.477	0.000
z	0.000	0.000	4.293

<r²>	242.397
(<r²>)^1/2	15.569