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	hartrees
Energy at 0K	-997.117032
Energy at 298.15K	-997.121956
Nuclear repulsion energy	209.810678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3006	5.45
2	A'	3262	2964	7.74
3	A'	3181	2890	10.65
4	A'	1603	1456	7.99
5	A'	1545	1404	5.06
6	A'	1430	1299	10.93
7	A'	1184	1076	1.55
8	A'	1063	966	12.44
9	A'	698	634	14.65
10	A'	435	395	4.34
11	A'	299	272	1.06
12	A"	3250	2953	14.36
13	A"	1607	1460	1.33
14	A"	1376	1250	48.71
15	A"	1171	1064	39.32
16	A"	774	703	120.97
17	A"	342	311	0.91
18	A"	287	260	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	0.496	0.000
C2	-0.967	1.445	0.000
H3	1.149	1.017	0.000
Cl4	0.210	-0.521	1.458
Cl5	0.210	-0.521	-1.458
H6	-1.897	0.895	0.000
H7	-0.925	2.070	0.882
H8	-0.925	2.070	-0.882

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5113	1.0734	1.7772	1.7772	2.1442	2.1316	2.1316
C2	1.5113		2.1580	2.7151	2.7151	1.0803	1.0819	1.0819
H3	1.0734	2.1580		2.3173	2.3173	3.0478	2.4875	2.4875
Cl4	1.7772	2.7151	2.3173		2.9152	2.9271	2.8867	3.6707
Cl5	1.7772	2.7151	2.3173	2.9152		2.9271	3.6707	2.8867
H6	2.1442	1.0803	3.0478	2.9271	2.9271		1.7612	1.7612
H7	2.1316	1.0819	2.4875	2.8867	3.6707	1.7612		1.7634
H8	2.1316	1.0819	2.4875	3.6707	2.8867	1.7612	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.554	C1	C2	H7	109.457
C1	C2	H8	109.457	C2	C1	H3	112.105
C2	C1	Cl4	111.046	C2	C1	Cl5	111.046
H3	C1	Cl4	106.115	H3	C1	Cl5	106.115
Cl4	C1	Cl5	110.196	H6	C2	H7	109.090
H6	C2	H8	109.090	H7	C2	H8	109.172

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.123
2	C	-0.008
3	H	0.177
4	Cl	-0.257
5	Cl	-0.257
6	H	0.162
7	H	0.152
8	H	0.152

	x	y	z	Total
	-0.295	2.226	0.000	2.245
CHELPG
AIM
ESP

	x	y	z
x	6.498	-0.492	0.000
y	-0.492	7.434	0.000
z	0.000	0.000	8.887

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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