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	hartrees
Energy at 0K	-1065.910063
Energy at 298.15K	-1065.912316
HF Energy	-1065.461317
Nuclear repulsion energy	252.312381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3199	3103
2	A'	2979	2889
3	A'	1602	1554
4	A'	1420	1377
5	A'	1194	1158
6	A'	984	955
7	A'	708	687
8	A'	391	380
9	A'	291	283
10	A'	226	220
11	A"	1194	1158
12	A"	1010	979
13	A"	652	632
14	A"	275	267
15	A"	75	73

Atom	x (Å)	y (Å)	z (Å)
C1	0.345	0.259	0.000
C2	-0.945	1.095	0.000
H3	1.251	0.861	0.000
Cl4	0.345	-0.830	1.550
Cl5	0.345	-0.830	-1.550
O6	-0.939	2.343	0.000
H7	-1.856	0.473	0.000

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5367	1.0885	1.8939	1.8939	2.4473	2.2110
C2	1.5367		2.2084	2.7873	2.7873	1.2476	1.1037
H3	1.0885	2.2084		2.4663	2.4663	2.6443	3.1315
Cl4	1.8939	2.7873	2.4663		3.0992	3.7568	2.9901
Cl5	1.8939	2.7873	2.4663	3.0992		3.7568	2.9901
O6	2.4473	1.2476	2.6443	3.7568	3.7568		2.0829
H7	2.2110	1.1037	3.1315	2.9901	2.9901	2.0829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	122.705	C1	C2	H7	112.697
C2	C1	H3	113.442	C2	C1	Cl4	108.232
C2	C1	Cl5	108.232	H3	C1	Cl4	108.545
H3	C1	Cl5	108.545	Cl4	C1	Cl5	109.815
O6	C2	H7	124.598

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: MP4/3-21G

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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All results from a given calculation for CHCl2CHO (dichloroacetaldehyde)

using model chemistry: MP4/3-21G

States and conformations

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)