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	hartrees
Energy at 0K	-42.873235
Energy at 298.15K	-42.877870
HF Energy	-42.604833
Nuclear repulsion energy	63.116118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3061	17.89
2	A'	3110	3036	3.79
3	A'	2991	2919	11.32
4	A'	1500	1464	8.61
5	A'	1466	1431	9.95
6	A'	1314	1283	22.96
7	A'	1115	1088	5.16
8	A'	1000	976	10.64
9	A'	605	590	12.61
10	A'	380	371	6.17
11	A'	257	251	1.58
12	A"	3100	3026	12.96
13	A"	1505	1469	4.08
14	A"	1275	1245	48.47
15	A"	1098	1071	28.47
16	A"	661	645	93.95
17	A"	311	303	0.43
18	A"	271	265	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.583	0.000
C2	-1.483	0.999	0.000
H3	0.701	1.424	0.000
Cl4	0.404	-0.419	1.544
Cl5	0.404	-0.419	-1.544
H6	-2.133	0.112	0.000
H7	-1.695	1.599	0.898
H8	-1.695	1.599	-0.898

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5402	1.0946	1.8844	1.8844	2.1843	2.1711	2.1711
C2	1.5402		2.2248	2.8201	2.8201	1.0993	1.1012	1.1012
H3	1.0946	2.2248		2.4225	2.4225	3.1226	2.5650	2.5650
Cl4	1.8844	2.8201	2.4225		3.0882	3.0166	2.9824	3.8005
Cl5	1.8844	2.8201	2.4225	3.0882		3.0166	3.8005	2.9824
H6	2.1843	1.0993	3.1226	3.0166	3.0166		1.7916	1.7916
H7	2.1711	1.1012	2.5650	2.9824	3.8005	1.7916		1.7967
H8	2.1711	1.1012	2.5650	3.8005	2.9824	1.7916	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.584	C1	C2	H7	109.436
C1	C2	H8	109.436	C2	C1	H3	114.152
C2	C1	Cl4	110.468	C2	C1	Cl5	110.468
H3	C1	Cl4	105.745	H3	C1	Cl5	105.745
Cl4	C1	Cl5	110.051	H6	C2	H7	109.016
H6	C2	H8	109.016	H7	C2	H8	109.333

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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