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	hartrees
Energy at 0K	-1070.790711
Energy at 298.15K	-1070.793463
HF Energy	-1070.790711
Nuclear repulsion energy	264.895808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3059	1.99
2	A'	3175	2897	36.49
3	A'	2030	1853	237.96
4	A'	1525	1392	11.17
5	A'	1348	1230	17.76
6	A'	1161	1059	28.53
7	A'	858	783	36.48
8	A'	473	432	7.55
9	A'	357	326	29.21
10	A'	281	256	1.96
11	A"	1379	1258	37.78
12	A"	1142	1042	18.87
13	A"	813	742	146.30
14	A"	308	281	3.40
15	A"	92	84	12.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.381	-0.010	0.000
C2	-0.170	1.408	0.000
H3	1.454	0.007	0.000
Cl4	-0.170	-0.842	1.466
Cl5	-0.170	-0.842	-1.466
O6	0.539	2.345	0.000
H7	-1.260	1.478	0.000

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5209	1.0735	1.7732	1.7732	2.3602	2.2146
C2	1.5209		2.1446	2.6853	2.6853	1.1746	1.0921
H3	1.0735	2.1446		2.3465	2.3465	2.5109	3.0867
Cl4	1.7732	2.6853	2.3465		2.9318	3.5787	2.9527
Cl5	1.7732	2.6853	2.3465	2.9318		3.5787	2.9527
O6	2.3602	1.1746	2.5109	3.5787	3.5787		1.9963
H7	2.2146	1.0921	3.0867	2.9527	2.9527	1.9963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	121.703	C1	C2	H7	114.891
C2	C1	H3	110.313	C2	C1	Cl4	108.969
C2	C1	Cl5	108.969	H3	C1	Cl4	108.528
H3	C1	Cl5	108.528	Cl4	C1	Cl5	111.529
O6	C2	H7	123.406

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: ROHF/6-311G**

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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Number	Element	Mulliken
1	C	-0.281
2	C	0.356
3	H	0.223
4	Cl	-0.037
5	Cl	-0.037
6	O	-0.335
7	H	0.112

	x	y	z	Total
	-0.452	-0.561	0.000	0.720
CHELPG
AIM
ESP

<r²>	191.455
(<r²>)^1/2	13.837

All results from a given calculation for CHCl2CHO (dichloroacetaldehyde)

using model chemistry: ROHF/6-311G**

States and conformations

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)