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	hartrees
Energy at 0K	-42.606825
Energy at 298.15K	-42.611650
Nuclear repulsion energy	64.135656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3061	10.20
2	A'	3290	3002	11.03
3	A'	3176	2898	14.28
4	A'	1614	1473	9.01
5	A'	1569	1432	8.50
6	A'	1417	1293	27.22
7	A'	1203	1098	2.89
8	A'	1076	982	13.04
9	A'	653	596	24.78
10	A'	415	379	9.09
11	A'	282	257	2.23
12	A"	3273	2987	15.47
13	A"	1622	1480	3.86
14	A"	1379	1258	69.07
15	A"	1189	1085	47.21
16	A"	712	649	157.75
17	A"	331	302	0.78
18	A"	271	247	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.421	0.000
C2	-1.493	0.121	0.000
H3	0.234	1.469	0.000
Cl4	0.808	-0.272	1.514
Cl5	0.808	-0.272	-1.514
H6	-1.671	-0.946	0.000
H7	-1.949	0.554	0.883
H8	-1.949	0.554	-0.883

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5224	1.0740	1.8502	1.8502	2.1592	2.1437	2.1437
C2	1.5224		2.1907	2.7814	2.7814	1.0819	1.0841	1.0841
H3	1.0740	2.1907		2.3771	2.3771	3.0763	2.5264	2.5264
Cl4	1.8502	2.7814	2.3771		3.0275	2.9818	2.9458	3.7449
Cl5	1.8502	2.7814	2.3771	3.0275		2.9818	3.7449	2.9458
H6	2.1592	1.0819	3.0763	2.9818	2.9818		1.7627	1.7627
H7	2.1437	1.0841	2.5264	2.9458	3.7449	1.7627		1.7659
H8	2.1437	1.0841	2.5264	3.7449	2.9458	1.7627	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.871	C1	C2	H7	109.508
C1	C2	H8	109.508	C2	C1	H3	113.957
C2	C1	Cl4	110.741	C2	C1	Cl5	110.741
H3	C1	Cl4	105.675	H3	C1	Cl5	105.675
Cl4	C1	Cl5	109.800	H6	C2	H7	108.931
H6	C2	H8	108.931	H7	C2	H8	109.063

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

using model chemistry: HF/CEP-121G

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	-0.396
2	C	-0.378
3	H	0.242
4	Cl	-0.009
5	Cl	-0.009
6	H	0.190
7	H	0.180
8	H	0.180

	x	y	z	Total
	-2.538	1.712	0.000	3.061
CHELPG
AIM
ESP

	x	y	z
x	5.570	-0.721	0.000
y	-0.721	4.454	0.000
z	0.000	0.000	8.084

<r²>	91.750
(<r²>)^1/2	9.579

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

using model chemistry: HF/CEP-121G

States and conformations

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