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	hartrees
Energy at 0K	-1146.908586
Energy at 298.15K	-1146.908935
HF Energy	-1146.908586
Nuclear repulsion energy	317.871782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1779	1712	0.00
2	A_g	1025	986	0.00
3	A_g	603	580	0.00
4	A_g	405	390	0.00
5	A_g	275	264	0.00
6	A_u	386	372	21.79
7	A_u	36	34	0.22
8	B_g	707	680	0.00
9	B_u	1807	1739	371.75
10	B_u	716	689	456.73
11	B_u	459	442	10.89
12	B_u	203	195	4.27

Atom	x (Å)	y (Å)
C1	-0.186	0.742
C2	0.186	-0.742
O3	-1.307	1.184
O4	1.307	-1.184
Cl5	1.307	1.819
Cl6	-1.307	-1.819

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5296	1.2051	2.4370	1.8415	2.7951
C2	1.5296		2.4370	1.2051	2.7951	1.8415
O3	1.2051	2.4370		3.5274	2.6907	3.0026
O4	2.4370	1.2051	3.5274		3.0026	2.6907
Cl5	1.8415	2.7951	2.6907	3.0026		4.4798
Cl6	2.7951	1.8415	3.0026	2.6907	4.4798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.624	C1	C2	Cl6	111.692
C2	C1	O3	125.624	C2	C1	Cl5	111.692
O3	C1	Cl5	122.684	O4	C2	Cl6	122.684

All results from a given calculation for (Oxalyl chloride)

using model chemistry: B3LYP/6-31G

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	0.126
2	C	0.126
3	O	-0.253
4	O	-0.253
5	Cl	0.127
6	Cl	0.127

	x	y	z
x	9.601	2.762	0.000
y	2.762	7.765	0.000
z	0.000	0.000	2.515

<r²>	257.796
(<r²>)^1/2	16.056