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	hartrees
Energy at 0K	-1147.203390
Energy at 298.15K	-1147.203780
HF Energy	-1147.203390
Nuclear repulsion energy	325.091209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1837	1777	0.00
2	A_g	1031	998	0.00
3	A_g	603	583	0.00
4	A_g	421	407	0.00
5	A_g	279	270	0.00
6	A_u	386	374	16.60
7	A_u	12	12	0.77
8	B_g	726	702	0.00
9	B_u	1873	1812	450.83
10	B_u	743	719	532.06
11	B_u	483	468	10.45
12	B_u	203	196	3.83

Atom	x (Å)	y (Å)
C1	-0.177	0.758
C2	0.177	-0.758
O3	-1.274	1.190
O4	1.274	-1.190
Cl5	1.274	1.767
Cl6	-1.274	-1.767

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5575	1.1789	2.4292	1.7673	2.7539
C2	1.5575		2.4292	1.1789	2.7539	1.7673
O3	1.1789	2.4292		3.4866	2.6126	2.9575
O4	2.4292	1.1789	3.4866		2.9575	2.6126
Cl5	1.7673	2.7539	2.6126	2.9575		4.3575
Cl6	2.7539	1.7673	2.9575	2.6126	4.3575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.603	C1	C2	Cl6	111.689
C2	C1	O3	124.603	C2	C1	Cl5	111.689
O3	C1	Cl5	123.708	O4	C2	Cl6	123.708

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.442
2	C	0.442
3	O	-0.386
4	O	-0.386
5	Cl	-0.056
6	Cl	-0.056

	x	y	z
x	10.939	2.065	0.000
y	2.065	10.250	0.000
z	0.000	0.000	5.890

<r²>	247.028
(<r²>)^1/2	15.717