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	hartrees
Energy at 0K	-997.612428
Energy at 298.15K	-997.617271
HF Energy	-997.031584
Nuclear repulsion energy	209.601527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3054	6.78
2	A'	3233	3021	3.05
3	A'	3151	2944	5.58
4	A'	1543	1442	6.52
5	A'	1470	1373	7.98
6	A'	1365	1275	13.35
7	A'	1150	1075	3.64
8	A'	1034	966	10.72
9	A'	685	640	10.91
10	A'	419	392	3.98
11	A'	292	272	1.25
12	A"	3255	3042	6.49
13	A"	1547	1446	1.68
14	A"	1333	1245	45.13
15	A"	1119	1046	37.09
16	A"	764	714	91.89
17	A"	333	312	0.38
18	A"	289	270	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.536	0.000
C2	-1.456	0.932	0.000
H3	0.652	1.402	0.000
Cl4	0.397	-0.391	1.464
Cl5	0.397	-0.391	-1.464
H6	-2.085	0.047	0.000
H7	-1.672	1.523	0.886
H8	-1.672	1.523	-0.886

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5088	1.0840	1.7782	1.7782	2.1413	2.1342	2.1342
C2	1.5088		2.1602	2.7074	2.7074	1.0854	1.0865	1.0865
H3	1.0840	2.1602		2.3290	2.3290	3.0541	2.4908	2.4908
Cl4	1.7782	2.7074	2.3290		2.9286	2.9150	2.8777	3.6702
Cl5	1.7782	2.7074	2.3290	2.9286		2.9150	3.6702	2.8777
H6	2.1413	1.0854	3.0541	2.9150	2.9150		1.7697	1.7697
H7	2.1342	1.0865	2.4908	2.8777	3.6702	1.7697		1.7717
H8	2.1342	1.0865	2.4908	3.6702	2.8777	1.7697	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.191	C1	C2	H7	109.561
C1	C2	H8	109.561	C2	C1	H3	111.801
C2	C1	Cl4	110.637	C2	C1	Cl5	110.637
H3	C1	Cl4	106.378	H3	C1	Cl5	106.378
Cl4	C1	Cl5	110.861	H6	C2	H7	109.135
H6	C2	H8	109.135	H7	C2	H8	109.239

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

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

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/6-31G**

States and conformations

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