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	hartrees
Energy at 0K	-1146.521175
Energy at 298.15K	-1146.521688
HF Energy	-1146.521175
Nuclear repulsion energy	326.696740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1900	1813	0.00
2	A_g	1099	1049	0.00
3	A_g	630	601	0.00
4	A_g	436	416	0.00
5	A_g	293	279	0.00
6	A_u	390	372	20.02
7	A_u	35	34	0.73
8	B_g	733	699	0.00
9	B_u	1926	1838	423.87
10	B_u	791	755	518.90
11	B_u	502	479	7.18
12	B_u	208	199	4.09

Atom	x (Å)	y (Å)
C1	-0.170	0.755
C2	0.170	-0.755
O3	-1.272	1.190
O4	1.272	-1.190
Cl5	1.272	1.747
Cl6	-1.272	-1.747

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5487	1.1850	2.4219	1.7499	2.7341
C2	1.5487		2.4219	1.1850	2.7341	1.7499
O3	1.1850	2.4219		3.4845	2.6046	2.9369
O4	2.4219	1.1850	3.4845		2.9369	2.6046
Cl5	1.7499	2.7341	2.6046	2.9369		4.3217
Cl6	2.7341	1.7499	2.9369	2.6046	4.3217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.203	C1	C2	Cl6	111.823
C2	C1	O3	124.203	C2	C1	Cl5	111.823
O3	C1	Cl5	123.974	O4	C2	Cl6	123.974

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

using model chemistry: HSEh1PBE/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	0.227
2	C	0.227
3	O	-0.300
4	O	-0.300
5	Cl	0.072
6	Cl	0.072

	x	y	z
x	9.095	2.170	0.000
y	2.170	7.642	0.000
z	0.000	0.000	3.258

<r²>	243.828
(<r²>)^1/2	15.615