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	hartrees
Energy at 0K	-1145.446489
Energy at 298.15K	-1145.446972
HF Energy	-1144.481569
Nuclear repulsion energy	324.263909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1838	1771	0.00
2	A_g	1120	1079	0.00
3	A_g	621	599	0.00
4	A_g	434	418	0.00
5	A_g	290	279	0.00
6	A_u	385	371	17.19
7	A_u	22	21	0.74
8	B_g	720	694	0.00
9	B_u	1855	1787	383.54
10	B_u	783	754	485.01
11	B_u	497	478	6.39
12	B_u	205	198	4.11

Atom	x (Å)	y (Å)
C1	-0.170	0.760
C2	0.170	-0.760
O3	-1.279	1.198
O4	1.279	-1.198
Cl5	1.279	1.766
Cl6	-1.279	-1.766

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5577	1.1925	2.4353	1.7635	2.7592
C2	1.5577		2.4353	1.1925	2.7592	1.7635
O3	1.1925	2.4353		3.5042	2.6201	2.9639
O4	2.4353	1.1925	3.5042		2.9639	2.6201
Cl5	1.7635	2.7592	2.6201	2.9639		4.3611
Cl6	2.7592	1.7635	2.9639	2.6201	4.3611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.095	C1	C2	Cl6	112.214
C2	C1	O3	124.095	C2	C1	Cl5	112.214
O3	C1	Cl5	123.691	O4	C2	Cl6	123.691

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

using model chemistry: CCSD/aug-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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