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	hartrees
Energy at 0K	-1145.381945
Energy at 298.15K	-1145.382473
HF Energy	-1144.462844
Nuclear repulsion energy	324.305047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1868	1793	0.00
2	A_g	1119	1073	0.00
3	A_g	624	599	0.00
4	A_g	435	417	0.00
5	A_g	293	281	0.00
6	A_u	396	380	18.69
7	A_u	34	32	0.49
8	B_g	735	705	0.00
9	B_u	1879	1802	374.75
10	B_u	784	752	482.06
11	B_u	499	478	6.78
12	B_u	209	201	3.91

Atom	x (Å)	y (Å)
C1	-0.173	0.761
C2	0.173	-0.761
O3	-1.281	1.198
O4	1.281	-1.198
Cl5	1.281	1.762
Cl6	-1.281	-1.762

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5600	1.1911	2.4391	1.7650	2.7551
C2	1.5600		2.4391	1.1911	2.7551	1.7650
O3	1.1911	2.4391		3.5074	2.6227	2.9599
O4	2.4391	1.1911	3.5074		2.9599	2.6227
Cl5	1.7650	2.7551	2.6227	2.9599		4.3564
Cl6	2.7551	1.7650	2.9599	2.6227	4.3564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.348	C1	C2	Cl6	111.759
C2	C1	O3	124.348	C2	C1	Cl5	111.759
O3	C1	Cl5	123.892	O4	C2	Cl6	123.892

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

using model chemistry: QCISD/cc-pVDZ

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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