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	hartrees
Energy at 0K	-988.047591
Energy at 298.15K	-988.052007
Nuclear repulsion energy	202.324074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3123	1.37
2	A'	3376	3013	0.51
3	A'	3319	2962	1.13
4	A'	1643	1466	4.45
5	A'	1547	1381	1.97
6	A'	1378	1230	17.61
7	A'	1163	1038	9.82
8	A'	1054	941	16.52
9	A'	693	618	12.28
10	A'	397	354	5.43
11	A'	262	234	3.77
12	A"	3485	3110	1.64
13	A"	1650	1472	2.26
14	A"	1312	1171	52.31
15	A"	1154	1030	33.60
16	A"	809	722	65.69
17	A"	302	269	0.31
18	A"	224	200	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.218	0.517	0.000
C2	-1.003	1.477	0.000
H3	1.185	1.062	0.000
Cl4	0.218	-0.534	1.524
Cl5	0.218	-0.534	-1.524
H6	-1.942	0.903	0.000
H7	-0.964	2.113	0.899
H8	-0.964	2.113	-0.899

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5529	1.1103	1.8511	1.8511	2.1940	2.1798	2.1798
C2	1.5529		2.2274	2.8027	2.8027	1.1002	1.1018	1.1018
H3	1.1103	2.2274		2.4092	2.4092	3.1313	2.5559	2.5559
Cl4	1.8511	2.8027	2.4092		3.0476	3.0086	2.9653	3.7777
Cl5	1.8511	2.8027	2.4092	3.0476		3.0086	3.7777	2.9653
H6	2.1940	1.1002	3.1313	3.0086	3.0086		1.7965	1.7965
H7	2.1798	1.1018	2.5559	2.9653	3.7777	1.7965		1.7975
H8	2.1798	1.1018	2.5559	3.7777	2.9653	1.7965	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.412	C1	C2	H7	109.211
C1	C2	H8	109.211	C2	C1	H3	112.450
C2	C1	Cl4	110.539	C2	C1	Cl5	110.539
H3	C1	Cl4	106.175	H3	C1	Cl5	106.175
Cl4	C1	Cl5	110.812	H6	C2	H7	109.338
H6	C2	H8	109.338	H7	C2	H8	109.313

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

using model chemistry: B3LYP/STO-3G

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	0.013
2	C	-0.212
3	H	0.133
4	Cl	-0.122
5	Cl	-0.122
6	H	0.106
7	H	0.102
8	H	0.102

	x	y	z	Total
	-0.319	2.548	0.000	2.568
CHELPG
AIM
ESP

	x	y	z
x	1.786	-0.228	0.000
y	-0.228	2.835	0.000
z	0.000	0.000	4.479

<r²>	153.324
(<r²>)^1/2	12.382

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

using model chemistry: B3LYP/STO-3G

States and conformations

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