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	hartrees
Energy at 0K	-999.033892
Energy at 298.15K	-999.038651
HF Energy	-999.033892
Nuclear repulsion energy	208.265491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3044	8.09
2	A'	3157	3019	1.93
3	A'	3065	2932	6.32
4	A'	1481	1417	8.51
5	A'	1425	1363	10.14
6	A'	1323	1265	17.54
7	A'	1116	1067	3.41
8	A'	1006	962	15.84
9	A'	665	636	12.91
10	A'	415	397	4.99
11	A'	286	273	0.87
12	A"	3149	3012	7.70
13	A"	1489	1424	2.17
14	A"	1276	1221	42.79
15	A"	1084	1036	49.82
16	A"	716	685	122.26
17	A"	324	310	1.07
18	A"	268	257	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	0.497	0.000
C2	-0.967	1.448	0.000
H3	1.160	1.023	0.000
Cl4	0.210	-0.522	1.472
Cl5	0.210	-0.522	-1.472
H6	-1.907	0.895	0.000
H7	-0.927	2.081	0.889
H8	-0.927	2.081	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5132	1.0862	1.7909	1.7909	2.1541	2.1426	2.1426
C2	1.5132		2.1693	2.7270	2.7270	1.0908	1.0916	1.0916
H3	1.0862	2.1693		2.3366	2.3366	3.0700	2.5031	2.5031
Cl4	1.7909	2.7270	2.3366		2.9449	2.9426	2.9000	3.6938
Cl5	1.7909	2.7270	2.3366	2.9449		2.9426	3.6938	2.9000
H6	2.1541	1.0908	3.0700	2.9426	2.9426		1.7767	1.7767
H7	2.1426	1.0916	2.5031	2.9000	3.6938	1.7767		1.7774
H8	2.1426	1.0916	2.5031	3.6938	2.9000	1.7767	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.582	C1	C2	H7	109.624
C1	C2	H8	109.624	C2	C1	H3	112.093
C2	C1	Cl4	110.964	C2	C1	Cl5	110.964
H3	C1	Cl4	106.002	H3	C1	Cl5	106.002
Cl4	C1	Cl5	110.607	H6	C2	H7	108.990
H6	C2	H8	108.990	H7	C2	H8	109.002

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

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	C	-0.337
2	C	-0.279
3	H	0.230
4	Cl	-0.038
5	Cl	-0.038
6	H	0.162
7	H	0.150
8	H	0.150

	x	y	z	Total
	-0.330	2.317	0.000	2.340
CHELPG
AIM
ESP

	x	y	z
x	4.846	-0.592	0.000
y	-0.592	6.258	0.000
z	0.000	0.000	8.072

<r²>	147.378
(<r²>)^1/2	12.140

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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