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	hartrees
Energy at 0K	-998.883637
Energy at 298.15K	-998.888342
Nuclear repulsion energy	207.986017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3044	8.68
2	A'	3163	3026	0.20
3	A'	3078	2945	6.26
4	A'	1505	1440	8.19
5	A'	1436	1373	11.25
6	A'	1326	1269	14.45
7	A'	1117	1068	4.04
8	A'	1004	960	16.81
9	A'	655	627	14.00
10	A'	407	390	5.36
11	A'	278	266	1.34
12	A"	3161	3024	7.35
13	A"	1509	1444	2.29
14	A"	1287	1231	43.70
15	A"	1087	1040	46.45
16	A"	697	667	126.18
17	A"	322	308	0.94
18	A"	274	262	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.542	0.000
C2	-1.455	0.954	0.000
H3	0.675	1.398	0.000
Cl4	0.397	-0.399	1.476
Cl5	0.397	-0.399	-1.476
H6	-2.105	0.075	0.000
H7	-1.666	1.553	0.891
H8	-1.666	1.553	-0.891

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5119	1.0898	1.7949	1.7949	2.1556	2.1432	2.1432
C2	1.5119		2.1748	2.7271	2.7271	1.0930	1.0945	1.0945
H3	1.0898	2.1748		2.3417	2.3417	3.0776	2.5094	2.5094
Cl4	1.7949	2.7271	2.3417		2.9530	2.9430	2.8998	3.6975
Cl5	1.7949	2.7271	2.3417	2.9530		2.9430	3.6975	2.8998
H6	2.1556	1.0930	3.0776	2.9430	2.9430		1.7807	1.7807
H7	2.1432	1.0945	2.5094	2.8998	3.6975	1.7807		1.7821
H8	2.1432	1.0945	2.5094	3.6975	2.8998	1.7807	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.659	C1	C2	H7	109.595
C1	C2	H8	109.595	C2	C1	H3	112.411
C2	C1	Cl4	110.829	C2	C1	Cl5	110.829
H3	C1	Cl4	105.940	H3	C1	Cl5	105.940
Cl4	C1	Cl5	110.693	H6	C2	H7	108.981
H6	C2	H8	108.981	H7	C2	H8	109.001

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.361	-0.147
2	C	-0.498	-0.273
3	H	0.263	0.216
4	Cl	-0.013	-0.091
5	Cl	-0.013	-0.091
6	H	0.214	0.139
7	H	0.204	0.123
8	H	0.204	0.123

	x	y	z	Total
	-1.136	1.958	0.000	2.264
CHELPG
AIM
ESP	-1.118	2.059	0.000	2.343

<r²>	147.282
(<r²>)^1/2	12.136

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

using model chemistry: B3PW91/6-31G*

States and conformations

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