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	hartrees
Energy at 0K	-997.621049
Energy at 298.15K	-997.625885
HF Energy	-997.033415
Nuclear repulsion energy	209.515146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3056	6.72
2	A'	3222	3026	1.17
3	A'	3139	2948	6.78
4	A'	1529	1436	7.65
5	A'	1465	1376	10.28
6	A'	1349	1267	13.20
7	A'	1146	1076	3.69
8	A'	1028	966	10.50
9	A'	684	642	10.04
10	A'	423	398	3.79
11	A'	290	272	1.10
12	A"	3243	3046	6.64
13	A"	1529	1436	2.83
14	A"	1324	1243	45.77
15	A"	1112	1044	37.27
16	A"	759	713	95.57
17	A"	330	310	0.37
18	A"	287	270	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.537	0.000
C2	-1.455	0.937	0.000
H3	0.654	1.402	0.000
Cl4	0.397	-0.393	1.464
Cl5	0.397	-0.393	-1.464
H6	-2.091	0.056	0.000
H7	-1.670	1.530	0.886
H8	-1.670	1.530	-0.886

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5095	1.0847	1.7789	1.7789	2.1454	2.1353	2.1353
C2	1.5095		2.1598	2.7100	2.7100	1.0866	1.0873	1.0873
H3	1.0847	2.1598		2.3303	2.3303	3.0570	2.4903	2.4903
Cl4	1.7789	2.7100	2.3303		2.9272	2.9215	2.8815	3.6731
Cl5	1.7789	2.7100	2.3303	2.9272		2.9215	3.6731	2.8815
H6	2.1454	1.0866	3.0570	2.9215	2.9215		1.7703	1.7703
H7	2.1353	1.0873	2.4903	2.8815	3.6731	1.7703		1.7725
H8	2.1353	1.0873	2.4903	3.6731	2.8815	1.7703	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.404	C1	C2	H7	109.559
C1	C2	H8	109.559	C2	C1	H3	111.682
C2	C1	Cl4	110.737	C2	C1	Cl5	110.737
H3	C1	Cl4	106.398	H3	C1	Cl5	106.398
Cl4	C1	Cl5	110.730	H6	C2	H7	109.051
H6	C2	H8	109.051	H7	C2	H8	109.196

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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