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	hartrees
Energy at 0K	-1071.640835
Energy at 298.15K
HF Energy	-1070.723056
Nuclear repulsion energy	266.799466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	2996	3.57
2	A	3026	2861	38.96
3	A	1871	1769	102.66
4	A	1427	1350	15.03
5	A	1300	1229	10.67
6	A	1254	1185	14.42
7	A	1059	1001	12.73
8	A	963	910	6.63
9	A	859	812	70.06
10	A	668	632	28.96
11	A	634	599	29.14
12	A	352	333	1.09
13	A	280	264	3.43
14	A	225	213	2.90
15	A	92	87	9.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-0.026	0.523
C2	-0.716	-1.279	0.195
H3	0.232	0.058	1.602
Cl4	1.728	-0.262	-0.170
Cl5	-0.668	1.443	-0.057
O6	-1.796	-1.263	-0.319
H7	-0.202	-2.210	0.491

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5320	1.0892	1.7830	1.7577	2.4175	2.2051
C2	1.5320		2.1593	2.6722	2.7343	1.1961	1.1040
H3	1.0892	2.1593		2.3408	2.3411	3.0895	2.5620
Cl4	1.7830	2.6722	2.3408		2.9431	3.6665	2.8202
Cl5	1.7577	2.7343	2.3411	2.9431		2.9440	3.7233
O6	2.4175	1.1961	3.0895	3.6665	2.9440		2.0231
H7	2.2051	1.1040	2.5620	2.8202	3.7233	2.0231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.323	C1	C2	H7	112.540
C2	C1	H3	109.774	C2	C1	Cl4	107.192
C2	C1	Cl5	112.253	H3	C1	Cl4	106.667
H3	C1	Cl5	108.345	Cl4	C1	Cl5	112.450
O6	C2	H7	123.137

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)