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	hartrees
Energy at 0K	-997.653098
Energy at 298.15K	-997.657898
HF Energy	-997.074612
Nuclear repulsion energy	208.378433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3063	5.20
2	A'	3180	3022	3.64
3	A'	3103	2949	6.17
4	A'	1483	1409	7.34
5	A'	1409	1339	8.50
6	A'	1318	1253	13.88
7	A'	1128	1072	5.90
8	A'	1007	957	10.97
9	A'	672	639	11.00
10	A'	412	392	4.00
11	A'	284	270	1.13
12	A"	3212	3053	5.84
13	A"	1486	1413	1.59
14	A"	1272	1209	36.52
15	A"	1081	1028	37.18
16	A"	747	710	90.75
17	A"	328	312	0.43
18	A"	290	276	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.543	0.000
C2	-1.464	0.934	0.000
H3	0.665	1.417	0.000
Cl4	0.400	-0.393	1.471
Cl5	0.400	-0.393	-1.471
H6	-2.095	0.033	0.000
H7	-1.687	1.530	0.898
H8	-1.687	1.530	-0.898

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5157	1.0980	1.7890	1.7890	2.1559	2.1505	2.1505
C2	1.5157		2.1833	2.7205	2.7205	1.0995	1.1004	1.1004
H3	1.0980	2.1833		2.3478	2.3478	3.0870	2.5195	2.5195
Cl4	1.7890	2.7205	2.3478		2.9416	2.9270	2.8951	3.6965
Cl5	1.7890	2.7205	2.3478	2.9416		2.9270	3.6965	2.8951
H6	2.1559	1.0995	3.0870	2.9270	2.9270		1.7927	1.7927
H7	2.1505	1.1004	2.5195	2.8951	3.6965	1.7927		1.7958
H8	2.1505	1.1004	2.5195	3.6965	2.8951	1.7927	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.025	C1	C2	H7	109.556
C1	C2	H8	109.556	C2	C1	H3	112.314
C2	C1	Cl4	110.542	C2	C1	Cl5	110.542
H3	C1	Cl4	106.352	H3	C1	Cl5	106.352
Cl4	C1	Cl5	110.593	H6	C2	H7	109.155
H6	C2	H8	109.155	H7	C2	H8	109.376

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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