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	hartrees
Energy at 0K	-997.659842
Energy at 298.15K	-997.664679
HF Energy	-997.033483
Nuclear repulsion energy	209.186522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3034	9.67
2	A'	3240	3018	0.41
3	A'	3149	2933	7.82
4	A'	1538	1433	6.97
5	A'	1481	1380	8.37
6	A'	1362	1269	12.84
7	A'	1151	1072	3.13
8	A'	1034	963	9.60
9	A'	684	637	10.35
10	A'	424	395	3.75
11	A'	290	270	1.18
12	A"	3241	3019	9.10
13	A"	1537	1432	2.47
14	A"	1334	1243	47.19
15	A"	1120	1044	34.54
16	A"	763	711	91.09
17	A"	330	307	0.34
18	A"	284	265	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.211	0.493	0.000
C2	-0.969	1.441	0.000
H3	1.150	1.029	0.000
Cl4	0.211	-0.519	1.466
Cl5	0.211	-0.519	-1.466
H6	-1.902	0.886	0.000
H7	-0.931	2.070	0.885
H8	-0.931	2.070	-0.885

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5129	1.0818	1.7822	1.7822	2.1487	2.1383	2.1383
C2	1.5129		2.1587	2.7174	2.7174	1.0858	1.0865	1.0865
H3	1.0818	2.1587		2.3307	2.3307	3.0557	2.4898	2.4898
Cl4	1.7822	2.7174	2.3307		2.9329	2.9305	2.8887	3.6793
Cl5	1.7822	2.7174	2.3307	2.9329		2.9305	3.6793	2.8887
H6	2.1487	1.0858	3.0557	2.9305	2.9305		1.7684	1.7684
H7	2.1383	1.0865	2.4898	2.8887	3.6793	1.7684		1.7706
H8	2.1383	1.0865	2.4898	3.6793	2.8887	1.7684	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.479	C1	C2	H7	109.603
C1	C2	H8	109.603	C2	C1	H3	111.528
C2	C1	Cl4	110.847	C2	C1	Cl5	110.847
H3	C1	Cl4	106.353	H3	C1	Cl5	106.353
Cl4	C1	Cl5	110.740	H6	C2	H7	108.996
H6	C2	H8	108.996	H7	C2	H8	109.138

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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