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	hartrees
Energy at 0K	-42.684016
Energy at 298.15K	-42.688918
Nuclear repulsion energy	65.241801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3031	15.92
2	A'	3304	2985	12.42
3	A'	3209	2899	17.07
4	A'	1614	1458	5.87
5	A'	1556	1405	3.80
6	A'	1432	1294	19.61
7	A'	1190	1075	2.29
8	A'	1061	959	12.38
9	A'	701	634	19.73
10	A'	430	388	5.82
11	A'	295	266	1.55
12	A"	3288	2971	22.31
13	A"	1617	1461	0.86
14	A"	1395	1261	68.17
15	A"	1173	1060	40.32
16	A"	788	712	142.52
17	A"	337	305	0.50
18	A"	286	258	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.404	0.000
C2	-1.482	0.050	0.000
H3	0.166	1.468	0.000
Cl4	0.806	-0.228	1.471
Cl5	0.806	-0.228	-1.471
H6	-1.616	-1.025	0.000
H7	-1.952	0.467	0.884
H8	-1.952	0.467	-0.884

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5233	1.0765	1.7922	1.7922	2.1574	2.1436	2.1436
C2	1.5233		2.1736	2.7335	2.7335	1.0832	1.0851	1.0851
H3	1.0765	2.1736		2.3341	2.3341	3.0642	2.5033	2.5033
Cl4	1.7922	2.7335	2.3341		2.9420	2.9436	2.9034	3.6923
Cl5	1.7922	2.7335	2.3341	2.9420		2.9436	3.6923	2.9034
H6	2.1574	1.0832	3.0642	2.9436	2.9436		1.7667	1.7667
H7	2.1436	1.0851	2.5033	2.9034	3.6923	1.7667		1.7688
H8	2.1436	1.0851	2.5033	3.6923	2.9034	1.7667	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.591	C1	C2	H7	109.381
C1	C2	H8	109.381	C2	C1	H3	112.310
C2	C1	Cl4	110.807	C2	C1	Cl5	110.807
H3	C1	Cl4	106.206	H3	C1	Cl5	106.206
Cl4	C1	Cl5	110.321	H6	C2	H7	109.140
H6	C2	H8	109.140	H7	C2	H8	109.186

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

using model chemistry: HF/CEP-121G*

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	-0.022
2	C	-0.492
3	H	0.224
4	Cl	-0.139
5	Cl	-0.139
6	H	0.192
7	H	0.188
8	H	0.188

	x	y	z	Total
	-2.055	1.259	0.000	2.410
CHELPG
AIM
ESP

	x	y	z
x	6.173	-0.478	0.000
y	-0.478	5.039	0.000
z	0.000	0.000	7.805

<r²>	88.567
(<r²>)^1/2	9.411

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

using model chemistry: HF/CEP-121G*

States and conformations

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