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	hartrees
Energy at 0K	-1071.570024
Energy at 298.15K
HF Energy	-1070.768514
Nuclear repulsion energy	264.353054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3017	4.75
2	A	3004	2894	40.37
3	A	1817	1751	115.85
4	A	1393	1342	13.20
5	A	1273	1227	9.07
6	A	1228	1183	12.93
7	A	1044	1006	13.12
8	A	945	910	4.03
9	A	832	801	70.91
10	A	652	629	31.86
11	A	613	591	27.11
12	A	348	335	1.08
13	A	278	268	3.16
14	A	221	213	3.19
15	A	83	80	10.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.096	-0.033	0.523
C2	-0.734	-1.284	0.184
H3	0.223	0.046	1.612
Cl4	1.743	-0.280	-0.167
Cl5	-0.654	1.465	-0.058
O6	-1.836	-1.257	-0.309
H7	-0.217	-2.233	0.451

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5382	1.0994	1.8023	1.7740	2.4338	2.2230
C2	1.5382		2.1734	2.6947	2.7607	1.2081	1.1137
H3	1.0994	2.1734		2.3622	2.3609	3.1034	2.5954
Cl4	1.8023	2.6947	2.3622		2.9670	3.7126	2.8348
Cl5	1.7740	2.7607	2.3609	2.9670		2.9787	3.7590
O6	2.4338	1.2081	3.1034	3.7126	2.9787		2.0380
H7	2.2230	1.1137	2.5954	2.8348	3.7590	2.0380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.364	C1	C2	H7	112.939
C2	C1	H3	109.855	C2	C1	Cl4	107.284
C2	C1	Cl5	112.728	H3	C1	Cl4	106.466
H3	C1	Cl5	108.201	Cl4	C1	Cl5	112.120
O6	C2	H7	122.693

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)