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	hartrees
Energy at 0K	-1133.963051
Energy at 298.15K	-1133.962966
HF Energy	-1133.963051
Nuclear repulsion energy	312.310491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1869	1668	0.00
2	A_g	1034	923	0.00
3	A_g	611	545	0.00
4	A_g	403	360	0.00
5	A_g	256	229	0.00
6	A_u	340	304	11.74
7	A_u	39	35	0.63
8	B_g	641	572	0.00
9	B_u	1884	1681	121.94
10	B_u	772	689	353.73
11	B_u	460	410	10.50
12	B_u	164	147	2.68

Atom	x (Å)	y (Å)
C1	-0.202	0.772
C2	0.202	-0.772
O3	-1.343	1.236
O4	1.343	-1.236
Cl5	1.343	1.810
Cl6	-1.343	-1.810

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5958	1.2323	2.5340	1.8611	2.8228
C2	1.5958		2.5340	1.2323	2.8228	1.8611
O3	1.2323	2.5340		3.6514	2.7469	3.0461
O4	2.5340	1.2323	3.6514		3.0461	2.7469
Cl5	1.8611	2.8228	2.7469	3.0461		4.5074
Cl6	2.8228	1.8611	3.0461	2.7469	4.5074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.789	C1	C2	Cl6	109.240
C2	C1	O3	126.789	C2	C1	Cl5	109.240
O3	C1	Cl5	123.971	O4	C2	Cl6	123.971

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

using model chemistry: B3LYP/STO-3G

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	0.202
2	C	0.202
3	O	-0.085
4	O	-0.085
5	Cl	-0.117
6	Cl	-0.117

	x	y	z
x	6.027	1.945	0.000
y	1.945	4.805	0.000
z	0.000	0.000	0.857

<r²>	261.783
(<r²>)^1/2	16.180