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	hartrees
Energy at 0K	-1071.482292
Energy at 298.15K
HF Energy	-1070.704023
Nuclear repulsion energy	265.096978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3153	3026
2	A	3039	2916
3	A	1795	1722
4	A	1423	1365
5	A	1297	1245
6	A	1269	1217
7	A	1049	1006
8	A	954	916
9	A	839	806
10	A	660	634
11	A	612	587
12	A	355	340
13	A	280	269
14	A	224	215
15	A	74	71

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-0.035	0.508
C2	-0.735	-1.274	0.166
H3	0.211	0.027	1.592
Cl4	1.742	-0.289	-0.161
Cl5	-0.642	1.462	-0.058
O6	-1.861	-1.238	-0.290
H7	-0.220	-2.221	0.398

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5334	1.0909	1.7900	1.7644	2.4355	2.2125
C2	1.5334		2.1490	2.6856	2.7467	1.2151	1.1025
H3	1.0909	2.1490		2.3487	2.3465	3.0706	2.5816
Cl4	1.7900	2.6856	2.3487		2.9598	3.7276	2.8100
Cl5	1.7644	2.7467	2.3465	2.9598		2.9710	3.7350
O6	2.4355	1.2151	3.0706	3.7276	2.9710		2.0324
H7	2.2125	1.1025	2.5816	2.8100	3.7350	2.0324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.376	C1	C2	H7	113.133
C2	C1	H3	108.773	C2	C1	Cl4	107.569
C2	C1	Cl5	112.606	H3	C1	Cl4	106.700
H3	C1	Cl5	108.215	Cl4	C1	Cl5	112.755
O6	C2	H7	122.478

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHCl2CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)