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	hartrees
Energy at 0K	-1145.539171
Energy at 298.15K	-1145.539736
HF Energy	-1144.433714
Nuclear repulsion energy	327.024872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1894	1791	0.00
2	A_g	1134	1072	0.00
3	A_g	638	603	0.00
4	A_g	444	420	0.00
5	A_g	295	279	0.00
6	A_u	401	379	19.19
7	A_u	35	33	0.54
8	B_g	749	709	0.00
9	B_u	1910	1806	356.78
10	B_u	800	757	485.87
11	B_u	507	479	7.07
12	B_u	209	198	4.20

Atom	x (Å)	y (Å)
C1	-0.170	0.755
C2	0.170	-0.755
O3	-1.270	1.187
O4	1.270	-1.187
Cl5	1.270	1.748
Cl6	-1.270	-1.748

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5477	1.1818	2.4176	1.7492	2.7337
C2	1.5477		2.4176	1.1818	2.7337	1.7492
O3	1.1818	2.4176		3.4767	2.6015	2.9345
O4	2.4176	1.1818	3.4767		2.9345	2.6015
Cl5	1.7492	2.7337	2.6015	2.9345		4.3209
Cl6	2.7337	1.7492	2.9345	2.6015	4.3209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.133	C1	C2	Cl6	111.880
C2	C1	O3	124.133	C2	C1	Cl5	111.880
O3	C1	Cl5	123.987	O4	C2	Cl6	123.987

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

using model chemistry: CCSD/6-31G(2df,p)

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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