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	hartrees
Energy at 0K	-42.677479
Energy at 298.15K	-42.682362
Nuclear repulsion energy	65.124822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3047	24.50
2	A'	3338	2997	18.75
3	A'	3245	2914	25.30
4	A'	1611	1446	4.83
5	A'	1553	1395	1.58
6	A'	1427	1281	23.53
7	A'	1192	1071	2.31
8	A'	1064	956	11.91
9	A'	703	631	20.28
10	A'	427	384	5.58
11	A'	295	265	1.48
12	A"	3322	2983	31.59
13	A"	1614	1449	0.70
14	A"	1390	1248	74.07
15	A"	1171	1052	44.93
16	A"	793	712	145.08
17	A"	336	302	0.54
18	A"	285	256	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.405	0.000
C2	-1.486	0.040	0.000
H3	0.160	1.473	0.000
Cl4	0.808	-0.224	1.471
Cl5	0.808	-0.224	-1.471
H6	-1.612	-1.040	0.000
H7	-1.959	0.457	0.889
H8	-1.959	0.457	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5299	1.0800	1.7926	1.7926	2.1650	2.1516	2.1516
C2	1.5299		2.1819	2.7380	2.7380	1.0880	1.0897	1.0897
H3	1.0800	2.1819		2.3377	2.3377	3.0750	2.5118	2.5118
Cl4	1.7926	2.7380	2.3377		2.9430	2.9475	2.9083	3.6999
Cl5	1.7926	2.7380	2.3377	2.9430		2.9475	3.6999	2.9083
H6	2.1650	1.0880	3.0750	2.9475	2.9475		1.7757	1.7757
H7	2.1516	1.0897	2.5118	2.9083	3.6999	1.7757		1.7776
H8	2.1516	1.0897	2.5118	3.6999	2.9083	1.7757	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.443	C1	C2	H7	109.283
C1	C2	H8	109.283	C2	C1	H3	112.291
C2	C1	Cl4	110.743	C2	C1	Cl5	110.743
H3	C1	Cl4	106.272	H3	C1	Cl5	106.272
Cl4	C1	Cl5	110.345	H6	C2	H7	109.260
H6	C2	H8	109.260	H7	C2	H8	109.294

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)

using model chemistry: HF/CEP-31G*

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	-0.080
2	C	-0.258
3	H	0.195
4	Cl	-0.138
5	Cl	-0.138
6	H	0.147
7	H	0.136
8	H	0.136

	x	y	z	Total
	-2.147	1.227	0.000	2.473
CHELPG
AIM
ESP

	x	y	z
x	5.515	-0.525	0.000
y	-0.525	4.317	0.000
z	0.000	0.000	7.348

<r²>	88.722
(<r²>)^1/2	9.419

All results from a given calculation for CH3CHCl2 (Ethane, 1,1-dichloro-)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)