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	hartrees
Energy at 0K	-1145.130758
Energy at 298.15K	-1145.131431
HF Energy	-1144.402260
Nuclear repulsion energy	328.319061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1979	1832	0.00
2	A_g	1204	1115	0.00
3	A_g	666	617	0.00
4	A_g	468	433	0.00
5	A_g	308	285	0.00
6	A_u	418	387	27.75
7	A_u	33	30	1.09
8	B_g	772	714	0.00
9	B_u	1993	1845	431.79
10	B_u	848	786	504.97
11	B_u	535	496	8.88
12	B_u	220	203	4.67

Atom	x (Å)	y (Å)
C1	-0.160	0.755
C2	0.160	-0.755
O3	-1.260	1.183
O4	1.260	-1.183
Cl5	1.260	1.749
Cl6	-1.260	-1.749

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5431	1.1804	2.4029	1.7341	2.7348
C2	1.5431		2.4029	1.1804	2.7348	1.7341
O3	1.1804	2.4029		3.4573	2.5832	2.9325
O4	2.4029	1.1804	3.4573		2.9325	2.5832
Cl5	1.7341	2.7348	2.5832	2.9325		4.3118
Cl6	2.7348	1.7341	2.9325	2.5832	4.3118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.290	C1	C2	Cl6	112.997
C2	C1	O3	123.290	C2	C1	Cl5	112.997
O3	C1	Cl5	123.713	O4	C2	Cl6	123.713

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

using model chemistry: CISD/6-31G*

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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