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	hartrees
Energy at 0K	-997.031725
Energy at 298.15K	-997.036652
Nuclear repulsion energy	209.212463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3016	9.44
2	A'	3299	2978	6.84
3	A'	3208	2896	11.92
4	A'	1612	1455	5.92
5	A'	1555	1404	4.83
6	A'	1438	1298	14.78
7	A'	1193	1077	1.70
8	A'	1070	965	13.44
9	A'	702	634	18.61
10	A'	437	395	5.42
11	A'	302	273	1.46
12	A"	3287	2967	13.34
13	A"	1614	1457	1.25
14	A"	1395	1260	57.68
15	A"	1180	1065	43.70
16	A"	782	706	132.56
17	A"	344	311	0.67
18	A"	289	260	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.538	0.000
C2	-1.457	0.953	0.000
H3	0.660	1.388	0.000
Cl4	0.397	-0.397	1.464
Cl5	0.397	-0.397	-1.464
H6	-2.101	0.083	0.000
H7	-1.664	1.546	0.883
H8	-1.664	1.546	-0.883

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5150	1.0755	1.7822	1.7822	2.1498	2.1359	2.1359
C2	1.5150		2.1611	2.7211	2.7211	1.0820	1.0834	1.0834
H3	1.0755	2.1611		2.3235	2.3235	3.0535	2.4901	2.4901
Cl4	1.7822	2.7211	2.3235		2.9274	2.9352	2.8918	3.6783
Cl5	1.7822	2.7211	2.3235	2.9274		2.9352	3.6783	2.8918
H6	2.1498	1.0820	3.0535	2.9352	2.9352		1.7639	1.7639
H7	2.1359	1.0834	2.4901	2.8918	3.6783	1.7639		1.7652
H8	2.1359	1.0834	2.4901	3.6783	2.8918	1.7639	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.646	C1	C2	H7	109.448
C1	C2	H8	109.448	C2	C1	H3	111.956
C2	C1	Cl4	110.980	C2	C1	Cl5	110.980
H3	C1	Cl4	106.143	H3	C1	Cl5	106.143
Cl4	C1	Cl5	110.432	H6	C2	H7	109.087
H6	C2	H8	109.087	H7	C2	H8	109.101

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	-0.277	0.073
2	C	-0.325	-0.147
3	H	0.217	0.148
4	Cl	-0.036	-0.154
5	Cl	-0.036	-0.154
6	H	0.160	0.092
7	H	0.149	0.072
8	H	0.149	0.072

	x	y	z	Total
	-1.200	2.089	0.000	2.410
CHELPG
AIM
ESP

	x	y	z
x	4.937	-0.691	0.000
y	-0.691	5.221	0.000
z	0.000	0.000	7.301

<r²>	146.335
(<r²>)^1/2	12.097

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

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

States and conformations

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