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	hartrees
Energy at 0K	-998.828055
Energy at 298.15K	-998.832677
Nuclear repulsion energy	203.133931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3080	3.83
2	A'	3180	3046	2.15
3	A'	3075	2945	4.22
4	A'	1519	1455	11.85
5	A'	1466	1404	18.81
6	A'	1327	1271	17.86
7	A'	1134	1086	7.20
8	A'	1024	981	21.27
9	A'	613	587	17.47
10	A'	395	379	7.38
11	A'	260	249	1.70
12	A"	3164	3030	5.06
13	A"	1526	1461	5.85
14	A"	1266	1213	46.36
15	A"	1105	1059	49.16
16	A"	640	613	134.46
17	A"	317	303	1.29
18	A"	262	251	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.578	0.000
C2	-1.441	1.010	0.000
H3	0.717	1.395	0.000
Cl4	0.392	-0.420	1.523
Cl5	0.392	-0.420	-1.523
H6	-2.110	0.146	0.000
H7	-1.645	1.613	0.890
H8	-1.645	1.613	-0.890

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5043	1.0869	1.8626	1.8626	2.1535	2.1379	2.1379
C2	1.5043		2.1920	2.7793	2.7793	1.0925	1.0946	1.0946
H3	1.0869	2.1920		2.3918	2.3918	3.0902	2.5336	2.5336
Cl4	1.8626	2.7793	2.3918		3.0453	2.9829	2.9473	3.7561
Cl5	1.8626	2.7793	2.3918	3.0453		2.9829	3.7561	2.9473
H6	2.1535	1.0925	3.0902	2.9829	2.9829		1.7779	1.7779
H7	2.1379	1.0946	2.5336	2.9473	3.7561	1.7779		1.7801
H8	2.1379	1.0946	2.5336	3.7561	2.9473	1.7779	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.058	C1	C2	H7	109.694
C1	C2	H8	109.694	C2	C1	H3	114.580
C2	C1	Cl4	110.823	C2	C1	Cl5	110.823
H3	C1	Cl4	105.320	H3	C1	Cl5	105.320
Cl4	C1	Cl5	109.669	H6	C2	H7	108.768
H6	C2	H8	108.768	H7	C2	H8	108.817

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
1	C	-0.514
2	C	-0.450
3	H	0.276
4	Cl	0.032
5	Cl	0.032
6	H	0.216
7	H	0.204
8	H	0.204

	x	y	z	Total
	-1.334	2.435	0.000	2.777
CHELPG
AIM
ESP

<r²>	153.820
(<r²>)^1/2	12.402

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-)