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	hartrees
Energy at 0K	-997.878293
Energy at 298.15K	-997.883064
HF Energy	-997.132310
Nuclear repulsion energy	209.774997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3041	3.94
2	A'	3167	3018	0.27
3	A'	3081	2936	4.85
4	A'	1501	1430	8.75
5	A'	1420	1353	9.28
6	A'	1322	1260	9.82
7	A'	1123	1070	3.68
8	A'	1008	961	10.80
9	A'	672	640	9.27
10	A'	409	389	3.23
11	A'	279	266	0.93
12	A"	3178	3028	4.67
13	A"	1504	1433	1.48
14	A"	1272	1213	33.91
15	A"	1088	1036	35.96
16	A"	739	704	90.48
17	A"	321	306	0.57
18	A"	275	262	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.213	0.503	0.000
C2	-0.981	1.423	0.000
H3	1.157	1.039	0.000
Cl4	0.213	-0.516	1.457
Cl5	0.213	-0.516	-1.457
H6	-1.899	0.840	0.000
H7	-0.954	2.051	0.889
H8	-0.954	2.051	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5073	1.0847	1.7784	1.7784	2.1393	2.1326	2.1326
C2	1.5073		2.1715	2.7037	2.7037	1.0878	1.0887	1.0887
H3	1.0847	2.1715		2.3306	2.3306	3.0622	2.5036	2.5036
Cl4	1.7784	2.7037	2.3306		2.9144	2.9028	2.8764	3.6684
Cl5	1.7784	2.7037	2.3306	2.9144		2.9028	3.6684	2.8764
H6	2.1393	1.0878	3.0622	2.9028	2.9028		1.7747	1.7747
H7	2.1326	1.0887	2.5036	2.8764	3.6684	1.7747		1.7785
H8	2.1326	1.0887	2.5036	3.6684	2.8764	1.7747	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.992	C1	C2	H7	109.407
C1	C2	H8	109.407	C2	C1	H3	112.794
C2	C1	Cl4	110.475	C2	C1	Cl5	110.475
H3	C1	Cl4	106.447	H3	C1	Cl5	106.447
Cl4	C1	Cl5	110.050	H6	C2	H7	109.250
H6	C2	H8	109.250	H7	C2	H8	109.520

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

using model chemistry: MP2/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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All results from a given calculation for CH3CHCl2 (Ethane, 1,1-dichloro-)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

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