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	hartrees
Energy at 0K	-1146.271590
Energy at 298.15K	-1146.271923
HF Energy	-1146.075820
Nuclear repulsion energy	316.777649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1727	1727	0.00
2	A_g	1033	1033	0.00
3	A_g	598	598	0.00
4	A_g	401	401	0.00
5	A_g	274	274	0.00
6	A_u	385	385	21.77
7	A_u	37	37	0.15
8	B_g	702	702	0.00
9	B_u	1749	1749	333.60
10	B_u	710	710	464.83
11	B_u	455	455	13.97
12	B_u	203	203	5.00

Atom	x (Å)	y (Å)
C1	-0.185	0.742
C2	0.185	-0.742
O3	-1.313	1.187
O4	1.313	-1.187
Cl5	1.313	1.823
Cl6	-1.313	-1.823

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5290	1.2131	2.4423	1.8476	2.8018
C2	1.5290		2.4423	1.2131	2.8018	1.8476
O3	1.2131	2.4423		3.5405	2.7028	3.0095
O4	2.4423	1.2131	3.5405		3.0095	2.7028
Cl5	1.8476	2.8018	2.7028	3.0095		4.4932
Cl6	2.8018	1.8476	3.0095	2.7028	4.4932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.522	C1	C2	Cl6	111.805
C2	C1	O3	125.522	C2	C1	Cl5	111.805
O3	C1	Cl5	122.673	O4	C2	Cl6	122.673

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

using model chemistry: B2PLYP=FULL/6-31G

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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