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	hartrees
Energy at 0K	-1131.885992
Energy at 298.15K	-1131.885977
HF Energy	-1131.596081
Nuclear repulsion energy	311.562328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1788	1589	0.00
2	A_g	1092	971	0.00
3	A_g	619	550	0.00
4	A_g	414	368	0.00
5	A_g	263	234	0.00
6	A_u	346	308	15.37
7	A_u	44	39	1.29
8	B_g	655	582	0.00
9	B_u	1790	1592	142.08
10	B_u	786	699	402.68
11	B_u	471	419	13.88
12	B_u	164	145	4.72

Atom	x (Å)	y (Å)
C1	-0.199	0.777
C2	0.199	-0.777
O3	-1.346	1.249
O4	1.346	-1.249
Cl5	1.346	1.809
Cl6	-1.346	-1.809

	C1	C2	O3	O4	Cl5	Cl6
C1		1.6043	1.2403	2.5478	1.8581	2.8295
C2	1.6043		2.5478	1.2403	2.8295	1.8581
O3	1.2403	2.5478		3.6722	2.7499	3.0581
O4	2.5478	1.2403	3.6722		3.0581	2.7499
Cl5	1.8581	2.8295	2.7499	3.0581		4.5103
Cl6	2.8295	1.8581	3.0581	2.7499	4.5103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.709	C1	C2	Cl6	109.388
C2	C1	O3	126.709	C2	C1	Cl5	109.388
O3	C1	Cl5	123.902	O4	C2	Cl6	123.902

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

using model chemistry: MP2=FULL/STO-3G

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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