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	hartrees
Energy at 0K	-1143.705338
Energy at 298.15K	-1143.705756
HF Energy	-1143.705338
Nuclear repulsion energy	327.749993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1841	1820	0.00
2	A_g	1038	1026	0.00
3	A_g	616	609	0.00
4	A_g	420	415	0.00
5	A_g	285	282	0.00
6	A_u	373	368	13.59
7	A_u	25	25	1.04
8	B_g	712	704	0.00
9	B_u	1872	1850	440.85
10	B_u	767	758	482.19
11	B_u	487	481	7.41
12	B_u	204	202	4.25

Atom	x (Å)	y (Å)
C1	-0.175	0.748
C2	0.175	-0.748
O3	-1.274	1.183
O4	1.274	-1.183
Cl5	1.274	1.732
Cl6	-1.274	-1.732

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5366	1.1820	2.4142	1.7514	2.7129
C2	1.5366		2.4142	1.1820	2.7129	1.7514
O3	1.1820	2.4142		3.4771	2.6064	2.9152
O4	2.4142	1.1820	3.4771		2.9152	2.6064
Cl5	1.7514	2.7129	2.6064	2.9152		4.3004
Cl6	2.7129	1.7514	2.9152	2.6064	4.3004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.739	C1	C2	Cl6	111.031
C2	C1	O3	124.739	C2	C1	Cl5	111.031
O3	C1	Cl5	124.230	O4	C2	Cl6	124.230

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.092
2	C	0.092
3	O	-0.121
4	O	-0.121
5	Cl	0.029
6	Cl	0.029

	x	y	z
x	10.215	2.248	0.000
y	2.248	8.443	0.000
z	0.000	0.000	4.186

<r²>	242.294
(<r²>)^1/2	15.566