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	hartrees
Energy at 0K	-1141.398591
Energy at 298.15K	-1141.399140
HF Energy	-1141.398591
Nuclear repulsion energy	324.848794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1786	1713	0.00
2	A_g	988	948	0.00
3	A_g	611	587	0.00
4	A_g	419	402	0.00
5	A_g	297	285	0.00
6	A_u	426	409	14.54
7	A_u	63	61	0.30
8	B_g	771	740	0.00
9	B_u	1813	1739	308.50
10	B_u	746	716	474.26
11	B_u	480	461	10.81
12	B_u	213	204	6.97

Atom	x (Å)	y (Å)
C1	-0.177	0.750
C2	0.177	-0.750
O3	-1.296	1.197
O4	1.296	-1.197
Cl5	1.296	1.725
Cl6	-1.296	-1.725

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5419	1.2051	2.4417	1.7665	2.7171
C2	1.5419		2.4417	1.2051	2.7171	1.7665
O3	1.2051	2.4417		3.5285	2.6457	2.9222
O4	2.4417	1.2051	3.5285		2.9222	2.6457
Cl5	1.7665	2.7171	2.6457	2.9222		4.3161
Cl6	2.7171	1.7665	2.9222	2.6457	4.3161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.007	C1	C2	Cl6	110.236
C2	C1	O3	125.007	C2	C1	Cl5	110.236
O3	C1	Cl5	124.757	O4	C2	Cl6	124.757

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	0.261
2	C	0.261
3	O	-0.350
4	O	-0.350
5	Cl	0.089
6	Cl	0.089

	x	y	z
x	8.886	2.314	0.000
y	2.314	7.201	0.000
z	0.000	0.000	2.741

<r²>	245.063
(<r²>)^1/2	15.654