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	hartrees
Energy at 0K	-1146.814300
Energy at 298.15K	-1146.814746
HF Energy	-1146.387445
Nuclear repulsion energy	326.256169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1736	0.00
2	A_g	1060	1017	0.00
3	A_g	610	585	0.00
4	A_g	426	409	0.00
5	A_g	286	274	0.00
6	A_u	389	373	16.17
7	A_u	20	19	0.80
8	B_g	733	704	0.00
9	B_u	1840	1765	409.84
10	B_u	759	728	526.50
11	B_u	490	470	8.19
12	B_u	205	197	4.22

Atom	x (Å)	y (Å)
C1	-0.173	0.755
C2	0.173	-0.755
O3	-1.273	1.190
O4	1.273	-1.190
Cl5	1.273	1.751
Cl6	-1.273	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5496	1.1833	2.4237	1.7560	2.7376
C2	1.5496		2.4237	1.1833	2.7376	1.7560
O3	1.1833	2.4237		3.4853	2.6082	2.9409
O4	2.4237	1.1833	3.4853		2.9409	2.6082
Cl5	1.7560	2.7376	2.6082	2.9409		4.3307
Cl6	2.7376	1.7560	2.9409	2.6082	4.3307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.416	C1	C2	Cl6	111.670
C2	C1	O3	124.416	C2	C1	Cl5	111.670
O3	C1	Cl5	123.914	O4	C2	Cl6	123.914

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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