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	hartrees
Energy at 0K	-997.925221
Energy at 298.15K	-997.929988
HF Energy	-997.132329
Nuclear repulsion energy	209.141139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3057	5.09
2	A'	3153	3034	2.34
3	A'	3066	2951	6.74
4	A'	1507	1451	7.71
5	A'	1440	1385	7.11
6	A'	1336	1286	9.81
7	A'	1127	1085	2.88
8	A'	1013	975	9.93
9	A'	668	643	9.78
10	A'	409	394	3.28
11	A'	279	269	0.96
12	A"	3148	3029	8.06
13	A"	1511	1454	1.25
14	A"	1284	1236	37.06
15	A"	1098	1057	33.37
16	A"	738	710	90.35
17	A"	321	308	0.55
18	A"	269	259	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.213	0.502	0.000
C2	-0.978	1.434	0.000
H3	1.156	1.035	0.000
Cl4	0.213	-0.519	1.463
Cl5	0.213	-0.519	-1.463
H6	-1.903	0.860	0.000
H7	-0.947	2.063	0.889
H8	-0.947	2.063	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5118	1.0838	1.7835	1.7835	2.1461	2.1387	2.1387
C2	1.5118		2.1711	2.7145	2.7145	1.0889	1.0899	1.0899
H3	1.0838	2.1711		2.3331	2.3331	3.0647	2.5048	2.5048
Cl4	1.7835	2.7145	2.3331		2.9254	2.9186	2.8878	3.6801
Cl5	1.7835	2.7145	2.3331	2.9254		2.9186	3.6801	2.8878
H6	2.1461	1.0889	3.0647	2.9186	2.9186		1.7754	1.7754
H7	2.1387	1.0899	2.5048	2.8878	3.6801	1.7754		1.7788
H8	2.1387	1.0899	2.5048	3.6801	2.8878	1.7754	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.152	C1	C2	H7	109.508
C1	C2	H8	109.508	C2	C1	H3	112.485
C2	C1	Cl4	110.654	C2	C1	Cl5	110.654
H3	C1	Cl4	106.341	H3	C1	Cl5	106.341
Cl4	C1	Cl5	110.198	H6	C2	H7	109.141
H6	C2	H8	109.141	H7	C2	H8	109.373

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

using model chemistry: QCISD/aug-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/aug-cc-pVTZ

States and conformations

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