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	hartrees
Energy at 0K	-1145.126907
Energy at 298.15K	-1145.127586
HF Energy	-1144.402339
Nuclear repulsion energy	328.447133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1983	1831	0.00
2	A_g	1207	1115	0.00
3	A_g	668	617	0.00
4	A_g	469	433	0.00
5	A_g	309	285	0.00
6	A_u	418	386	27.85
7	A_u	33	30	1.10
8	B_g	773	714	0.00
9	B_u	1998	1846	431.41
10	B_u	851	786	503.02
11	B_u	536	496	9.00
12	B_u	220	203	4.67

Atom	x (Å)	y (Å)
C1	-0.160	0.754
C2	0.160	-0.754
O3	-1.259	1.183
O4	1.259	-1.183
Cl5	1.259	1.749
Cl6	-1.259	-1.749

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5426	1.1798	2.4017	1.7333	2.7343
C2	1.5426		2.4017	1.1798	2.7343	1.7333
O3	1.1798	2.4017		3.4555	2.5818	2.9318
O4	2.4017	1.1798	3.4555		2.9318	2.5818
Cl5	1.7333	2.7343	2.5818	2.9318		4.3107
Cl6	2.7343	1.7333	2.9318	2.5818	4.3107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.267	C1	C2	Cl6	113.035
C2	C1	O3	123.267	C2	C1	Cl5	113.035
O3	C1	Cl5	123.699	O4	C2	Cl6	123.699

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

using model chemistry: CID/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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