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	hartrees
Energy at 0K	-997.783537
Energy at 298.15K	-997.788390
HF Energy	-997.089973
Nuclear repulsion energy	209.452024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3039	8.39
2	A'	3184	3016	1.80
3	A'	3099	2935	5.86
4	A'	1520	1440	9.33
5	A'	1458	1381	14.02
6	A'	1346	1275	15.69
7	A'	1143	1083	2.78
8	A'	1025	971	12.02
9	A'	683	647	9.63
10	A'	419	397	3.83
11	A'	294	278	0.79
12	A"	3195	3026	6.71
13	A"	1521	1441	2.47
14	A"	1334	1264	40.25
15	A"	1111	1052	45.54
16	A"	759	718	98.49
17	A"	337	319	0.46
18	A"	296	280	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.538	0.000
C2	-1.460	0.922	0.000
H3	0.650	1.411	0.000
Cl4	0.399	-0.389	1.465
Cl5	0.399	-0.389	-1.465
H6	-2.085	0.029	0.000
H7	-1.686	1.512	0.889
H8	-1.686	1.512	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5097	1.0876	1.7793	1.7793	2.1467	2.1409	2.1409
C2	1.5097		2.1657	2.7059	2.7059	1.0899	1.0911	1.0911
H3	1.0876	2.1657		2.3340	2.3340	3.0641	2.5016	2.5016
Cl4	1.7793	2.7059	2.3340		2.9304	2.9145	2.8803	3.6752
Cl5	1.7793	2.7059	2.3340	2.9304		2.9145	3.6752	2.8803
H6	2.1467	1.0899	3.0641	2.9145	2.9145		1.7748	1.7748
H7	2.1409	1.0911	2.5016	2.8803	3.6752	1.7748		1.7783
H8	2.1409	1.0911	2.5016	3.6752	2.8803	1.7748	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.289	C1	C2	H7	109.759
C1	C2	H8	109.759	C2	C1	H3	111.959
C2	C1	Cl4	110.446	C2	C1	Cl5	110.446
H3	C1	Cl4	106.497	H3	C1	Cl5	106.497
Cl4	C1	Cl5	110.871	H6	C2	H7	108.927
H6	C2	H8	108.927	H7	C2	H8	109.155

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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