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	hartrees
Energy at 0K	-1072.600268
Energy at 298.15K
HF Energy	-1072.354657
Nuclear repulsion energy	264.702776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3134	3004	4.40	87.96	0.20	0.34
2	A	2970	2847	62.04	149.14	0.31	0.47
3	A	1825	1749	123.15	12.02	0.54	0.70
4	A	1390	1333	13.41	4.88	0.54	0.70
5	A	1262	1210	12.16	3.62	0.70	0.82
6	A	1211	1161	12.47	8.53	0.73	0.85
7	A	1035	992	11.78	1.89	0.54	0.70
8	A	938	899	8.10	6.04	0.66	0.80
9	A	812	779	80.56	5.97	0.73	0.84
10	A	646	619	36.87	9.77	0.09	0.16
11	A	614	588	36.07	7.06	0.48	0.65
12	A	345	330	1.57	3.42	0.24	0.38
13	A	274	263	3.06	6.06	0.64	0.78
14	A	220	211	2.36	1.56	0.70	0.83
15	A	92	88	8.69	2.22	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.099	-0.026	0.522
C2	-0.705	-1.292	0.196
H3	0.231	0.062	1.609
Cl4	1.748	-0.247	-0.169
Cl5	-0.694	1.449	-0.058
O6	-1.792	-1.297	-0.319
H7	-0.165	-2.219	0.498

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5347	1.0982	1.8020	1.7716	2.4288	2.2096
C2	1.5347		2.1695	2.6910	2.7520	1.2029	1.1154
H3	1.0982	2.1695		2.3578	2.3573	3.1078	2.5683
Cl4	1.8020	2.6910	2.3578		2.9748	3.6954	2.8274
Cl5	1.7716	2.7520	2.3573	2.9748		2.9684	3.7475
O6	2.4288	1.2029	3.1078	3.6954	2.9684		2.0416
H7	2.2096	1.1154	2.5683	2.8274	3.7475	2.0416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.606	C1	C2	H7	112.007
C2	C1	H3	109.859	C2	C1	Cl4	107.236
C2	C1	Cl5	112.486	H3	C1	Cl4	106.222
H3	C1	Cl5	108.149	Cl4	C1	Cl5	112.696
O6	C2	H7	123.387

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)