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	hartrees
Energy at 0K	-997.132569
Energy at 298.15K	-997.137487
Nuclear repulsion energy	209.448195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3018	5.31
2	A'	3262	2970	8.08
3	A'	3181	2896	11.20
4	A'	1602	1458	7.59
5	A'	1545	1406	4.86
6	A'	1430	1302	11.65
7	A'	1185	1079	1.63
8	A'	1062	967	12.63
9	A'	695	633	15.32
10	A'	433	394	4.55
11	A'	295	269	1.12
12	A"	3250	2958	14.28
13	A"	1606	1462	1.12
14	A"	1376	1253	49.87
15	A"	1172	1067	39.40
16	A"	769	700	124.08
17	A"	340	309	0.92
18	A"	286	261	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	0.499	0.000
C2	-0.968	1.444	0.000
H3	1.149	1.018	0.000
Cl4	0.210	-0.521	1.461
Cl5	0.210	-0.521	-1.461
H6	-1.897	0.893	0.000
H7	-0.928	2.070	0.882
H8	-0.928	2.070	-0.882

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5106	1.0728	1.7822	1.7822	2.1436	2.1310	2.1310
C2	1.5106		2.1594	2.7178	2.7178	1.0804	1.0820	1.0820
H3	1.0728	2.1594		2.3209	2.3209	3.0485	2.4895	2.4895
Cl4	1.7822	2.7178	2.3209		2.9228	2.9282	2.8887	3.6742
Cl5	1.7822	2.7178	2.3209	2.9228		2.9282	3.6742	2.8887
H6	2.1436	1.0804	3.0485	2.9282	2.9282		1.7613	1.7613
H7	2.1310	1.0820	2.4895	2.8887	3.6742	1.7613		1.7637
H8	2.1310	1.0820	2.4895	3.6742	2.8887	1.7613	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.557	C1	C2	H7	109.457
C1	C2	H8	109.457	C2	C1	H3	112.307
C2	C1	Cl4	110.988	C2	C1	Cl5	110.988
H3	C1	Cl4	106.086	H3	C1	Cl5	106.086
Cl4	C1	Cl5	110.172	H6	C2	H7	109.082
H6	C2	H8	109.082	H7	C2	H8	109.184

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

using model chemistry: HF/aug-cc-pVTZ

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	0.239
2	C	-0.884
3	H	0.274
4	Cl	-0.320
5	Cl	-0.320
6	H	0.353
7	H	0.330
8	H	0.330

	x	y	z	Total
	-0.287	2.257	0.000	2.275
CHELPG
AIM
ESP

	x	y	z
x	6.622	-0.499	0.000
y	-0.499	7.559	0.000
z	0.000	0.000	9.028

<r²>	145.967
(<r²>)^1/2	12.082

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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