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	hartrees
Energy at 0K	-997.623021
Energy at 298.15K	-997.627835
HF Energy	-997.025030
Nuclear repulsion energy	208.826157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3034	11.68
2	A'	3178	3018	0.05
3	A'	3092	2937	7.01
4	A'	1534	1457	7.37
5	A'	1473	1399	9.62
6	A'	1363	1295	11.89
7	A'	1146	1089	2.37
8	A'	1033	981	10.68
9	A'	680	646	11.04
10	A'	419	398	4.11
11	A'	289	275	1.31
12	A"	3175	3015	8.70
13	A"	1537	1460	2.40
14	A"	1332	1265	43.85
15	A"	1120	1063	36.70
16	A"	757	719	89.35
17	A"	331	315	0.42
18	A"	285	270	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.495	0.000
C2	-0.974	1.438	0.000
H3	1.158	1.036	0.000
Cl4	0.212	-0.519	1.468
Cl5	0.212	-0.519	-1.468
H6	-1.910	0.872	0.000
H7	-0.941	2.072	0.892
H8	-0.941	2.072	-0.892

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5156	1.0897	1.7844	1.7844	2.1551	2.1476	2.1476
C2	1.5156		2.1703	2.7192	2.7192	1.0936	1.0948	1.0948
H3	1.0897	2.1703		2.3385	2.3385	3.0725	2.5054	2.5054
Cl4	1.7844	2.7192	2.3385		2.9359	2.9313	2.8943	3.6897
Cl5	1.7844	2.7192	2.3385	2.9359		2.9313	3.6897	2.8943
H6	2.1551	1.0936	3.0725	2.9313	2.9313		1.7818	1.7818
H7	2.1476	1.0948	2.5054	2.8943	3.6897	1.7818		1.7839
H8	2.1476	1.0948	2.5054	3.6897	2.8943	1.7818	1.7839

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

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

States and conformations

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