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	hartrees
Energy at 0K	-1146.703919
Energy at 298.15K
HF Energy	-1146.351902
Nuclear repulsion energy	324.540154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1821	1737	0.00
2	A_g	1054	1005	0.00
3	A_g	609	581	0.00
4	A_g	425	405	0.00
5	A_g	285	272	0.00
6	A_u	383	366	17.37
7	A_u	10i	10i	0.76
8	B_g	715	682	0.00
9	B_u	1850	1765	417.32
10	B_u	756	721	524.07
11	B_u	490	468	10.84
12	B_u	207	197	3.80

Atom	x (Å)	y (Å)
C1	-0.176	0.757
C2	0.176	-0.757
O3	-1.277	1.191
O4	1.277	-1.191
Cl5	1.277	1.769
Cl6	-1.277	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5549	1.1836	2.4303	1.7706	2.7563
C2	1.5549		2.4303	1.1836	2.7563	1.7706
O3	1.1836	2.4303		3.4923	2.6188	2.9602
O4	2.4303	1.1836	3.4923		2.9602	2.6188
Cl5	1.7706	2.7563	2.6188	2.9602		4.3642
Cl6	2.7563	1.7706	2.9602	2.6188	4.3642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.553	C1	C2	Cl6	111.795
C2	C1	O3	124.553	C2	C1	Cl5	111.795
O3	C1	Cl5	123.652	O4	C2	Cl6	123.652

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

using model chemistry: B2PLYP=FULL/TZVP

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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