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	hartrees
Energy at 0K	-997.908147
Energy at 298.15K	-997.912912
HF Energy	-997.130548
Nuclear repulsion energy	209.044295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3039	7.59
2	A'	3158	3017	1.91
3	A'	3072	2935	7.29
4	A'	1503	1436	7.02
5	A'	1432	1368	6.95
6	A'	1333	1273	10.86
7	A'	1124	1074	3.58
8	A'	1010	965	10.45
9	A'	667	637	10.45
10	A'	409	391	3.45
11	A'	279	267	1.01
12	A"	3153	3013	9.19
13	A"	1506	1439	1.10
14	A"	1278	1222	36.34
15	A"	1092	1043	33.59
16	A"	740	707	90.00
17	A"	320	306	0.49
18	A"	271	259	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.499	0.000
C2	-0.976	1.434	0.000
H3	1.155	1.033	0.000
Cl4	0.212	-0.518	1.466
Cl5	0.212	-0.518	-1.466
H6	-1.903	0.864	0.000
H7	-0.945	2.064	0.888
H8	-0.945	2.064	-0.888

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5121	1.0831	1.7843	1.7843	2.1461	2.1395	2.1395
C2	1.5121		2.1681	2.7155	2.7155	1.0881	1.0892	1.0892
H3	1.0831	2.1681		2.3332	2.3332	3.0619	2.5024	2.5024
Cl4	1.7843	2.7155	2.3332		2.9310	2.9209	2.8883	3.6810
Cl5	1.7843	2.7155	2.3332	2.9310		2.9209	3.6810	2.8883
H6	2.1461	1.0881	3.0619	2.9209	2.9209		1.7734	1.7734
H7	2.1395	1.0892	2.5024	2.8883	3.6810	1.7734		1.7767
H8	2.1395	1.0892	2.5024	3.6810	2.8883	1.7734	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.182	C1	C2	H7	109.591
C1	C2	H8	109.591	C2	C1	H3	112.266
C2	C1	Cl4	110.656	C2	C1	Cl5	110.656
H3	C1	Cl4	106.333	H3	C1	Cl5	106.333
Cl4	C1	Cl5	110.435	H6	C2	H7	109.080
H6	C2	H8	109.080	H7	C2	H8	109.298

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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