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	hartrees
Energy at 0K	-1144.559291
Energy at 298.15K	-1144.560019
HF Energy	-1144.559291
Nuclear repulsion energy	329.736014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2042	1851	0.00
2	A_g	1210	1097	0.00
3	A_g	671	608	0.00
4	A_g	480	435	0.00
5	A_g	309	280	0.00
6	A_u	438	397	28.56
7	A_u	19	17	1.28
8	B_g	819	742	0.00
9	B_u	2060	1868	555.76
10	B_u	848	769	565.20
11	B_u	547	496	8.45
12	B_u	220	199	4.60

Atom	x (Å)	y (Å)
C1	-0.094	0.731
C2	0.094	-0.731
O3	-1.268	1.219
O4	1.268	-1.219
Cl5	1.268	1.788
Cl6	-1.268	-1.788

	C1	C2	O3	O4	Cl5	Cl6
C1		1.4749	1.2714	2.3789	1.7238	2.7794
C2	1.4749		2.3789	1.2714	2.7794	1.7238
O3	1.2714	2.3789		3.5179	2.5996	3.0065
O4	2.3789	1.2714	3.5179		3.0065	2.5996
Cl5	1.7238	2.7794	2.5996	3.0065		4.3838
Cl6	2.7794	1.7238	3.0065	2.5996	4.3838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	119.858	C1	C2	Cl6	120.470
C2	C1	O3	119.858	C2	C1	Cl5	120.470
O3	C1	Cl5	119.672	O4	C2	Cl6	119.672

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

using model chemistry: HF/Def2TZVPP

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	0.297
2	C	0.297
3	O	-0.264
4	O	-0.264
5	Cl	-0.033
6	Cl	-0.033

	x	y	z
x	9.054	1.527	0.000
y	1.527	7.903	0.000
z	0.000	0.000	4.588

<r²>	242.062
(<r²>)^1/2	15.558