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	hartrees
Energy at 0K	-1145.377527
Energy at 298.15K	-1145.378081
HF Energy	-1144.463500
Nuclear repulsion energy	324.746469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1881	1782	0.00
2	A_g	1129	1070	0.00
3	A_g	630	597	0.00
4	A_g	439	416	0.00
5	A_g	295	279	0.00
6	A_u	398	377	18.47
7	A_u	35	33	0.51
8	B_g	739	700	0.00
9	B_u	1895	1795	373.50
10	B_u	792	750	475.77
11	B_u	503	477	6.75
12	B_u	210	199	3.90

Atom	x (Å)	y (Å)
C1	-0.172	0.760
C2	0.172	-0.760
O3	-1.278	1.196
O4	1.278	-1.196
Cl5	1.278	1.761
Cl6	-1.278	-1.761

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5577	1.1893	2.4343	1.7621	2.7532
C2	1.5577		2.4343	1.1893	2.7532	1.7621
O3	1.1893	2.4343		3.5006	2.6180	2.9572
O4	2.4343	1.1893	3.5006		2.9572	2.6180
Cl5	1.7621	2.7532	2.6180	2.9572		4.3525
Cl6	2.7532	1.7621	2.9572	2.6180	4.3525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.244	C1	C2	Cl6	111.910
C2	C1	O3	124.244	C2	C1	Cl5	111.910
O3	C1	Cl5	123.846	O4	C2	Cl6	123.846

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

using model chemistry: CCSD/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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