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	hartrees
Energy at 0K	-997.596404
Energy at 298.15K	-997.601207
HF Energy	-997.024965
Nuclear repulsion energy	208.555707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3037	12.41
2	A'	3173	3022	0.09
3	A'	3087	2939	7.40
4	A'	1532	1459	7.17
5	A'	1470	1400	9.27
6	A'	1360	1296	12.22
7	A'	1143	1089	2.45
8	A'	1030	981	10.80
9	A'	677	645	11.33
10	A'	418	398	4.19
11	A'	288	274	1.31
12	A"	3169	3018	9.23
13	A"	1535	1462	2.31
14	A"	1330	1267	44.49
15	A"	1117	1064	36.60
16	A"	753	717	92.24
17	A"	330	314	0.42
18	A"	284	271	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.495	0.000
C2	-0.975	1.441	0.000
H3	1.159	1.036	0.000
Cl4	0.212	-0.520	1.470
Cl5	0.212	-0.520	-1.470
H6	-1.912	0.875	0.000
H7	-0.941	2.075	0.892
H8	-0.941	2.075	-0.892

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5177	1.0904	1.7868	1.7868	2.1577	2.1499	2.1499
C2	1.5177		2.1726	2.7232	2.7232	1.0943	1.0954	1.0954
H3	1.0904	2.1726		2.3406	2.3406	3.0754	2.5079	2.5079
Cl4	1.7868	2.7232	2.3406		2.9406	2.9358	2.8980	3.6942
Cl5	1.7868	2.7232	2.3406	2.9406		2.9358	3.6942	2.8980
H6	2.1577	1.0943	3.0754	2.9358	2.9358		1.7829	1.7829
H7	2.1499	1.0954	2.5079	2.8980	3.6942	1.7829		1.7849
H8	2.1499	1.0954	2.5079	3.6942	2.8980	1.7829	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.341	C1	C2	H7	109.661
C1	C2	H8	109.661	C2	C1	H3	111.779
C2	C1	Cl4	110.730	C2	C1	Cl5	110.730
H3	C1	Cl4	106.349	H3	C1	Cl5	106.349
Cl4	C1	Cl5	110.742	H6	C2	H7	109.020
H6	C2	H8	109.020	H7	C2	H8	109.113

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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