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	hartrees
Energy at 0K	-997.685115
Energy at 298.15K	-997.689942
HF Energy	-997.101219
Nuclear repulsion energy	208.804293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3047	8.94
2	A'	3196	3030	0.05
3	A'	3102	2941	6.44
4	A'	1501	1423	6.80
5	A'	1449	1374	8.39
6	A'	1334	1264	16.40
7	A'	1136	1077	4.96
8	A'	1015	962	10.44
9	A'	675	640	11.08
10	A'	415	394	4.03
11	A'	284	269	1.08
12	A"	3198	3032	7.24
13	A"	1499	1421	1.47
14	A"	1309	1240	46.93
15	A"	1101	1043	31.99
16	A"	746	707	94.46
17	A"	332	315	0.32
18	A"	294	279	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.499	0.000
C2	-0.974	1.428	0.000
H3	1.154	1.036	0.000
Cl4	0.212	-0.517	1.472
Cl5	0.212	-0.517	-1.472
H6	-1.900	0.857	0.000
H7	-0.946	2.057	0.888
H8	-0.946	2.057	-0.888

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5065	1.0840	1.7891	1.7891	2.1427	2.1346	2.1346
C2	1.5065		2.1639	2.7124	2.7124	1.0878	1.0889	1.0889
H3	1.0840	2.1639		2.3382	2.3382	3.0596	2.4981	2.4981
Cl4	1.7891	2.7124	2.3382		2.9449	2.9187	2.8821	3.6795
Cl5	1.7891	2.7124	2.3382	2.9449		2.9187	3.6795	2.8821
H6	2.1427	1.0878	3.0596	2.9187	2.9187		1.7718	1.7718
H7	2.1346	1.0889	2.4981	2.8821	3.6795	1.7718		1.7767
H8	2.1346	1.0889	2.4981	3.6795	2.8821	1.7718	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.324	C1	C2	H7	109.610
C1	C2	H8	109.610	C2	C1	H3	112.269
C2	C1	Cl4	110.488	C2	C1	Cl5	110.488
H3	C1	Cl4	106.342	H3	C1	Cl5	106.342
Cl4	C1	Cl5	110.775	H6	C2	H7	108.971
H6	C2	H8	108.971	H7	C2	H8	109.334

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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