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	hartrees
Energy at 0K	-999.009632
Energy at 298.15K	-999.014169
Nuclear repulsion energy	204.576072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	3073	11.93
2	A'	3054	3046	3.04
3	A'	2975	2968	8.62
4	A'	1460	1456	8.12
5	A'	1392	1388	9.25
6	A'	1279	1276	19.63
7	A'	1068	1065	3.19
8	A'	955	953	20.20
9	A'	604	602	14.39
10	A'	387	386	6.09
11	A'	261	260	0.54
12	A"	3038	3030	12.65
13	A"	1465	1461	1.73
14	A"	1235	1232	40.75
15	A"	1051	1049	43.62
16	A"	600	598	156.34
17	A"	310	309	2.23
18	A"	260	259	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
C2	-1.458	0.990	0.000
H3	0.700	1.394	0.000
Cl4	0.397	-0.411	1.506
Cl5	0.397	-0.411	-1.506
H6	-2.126	0.121	0.000
H7	-1.663	1.596	0.893
H8	-1.663	1.596	-0.893

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5207	1.0917	1.8339	1.8339	2.1707	2.1554	2.1554
C2	1.5207		2.1954	2.7698	2.7698	1.0968	1.0991	1.0991
H3	1.0917	2.1954		2.3705	2.3705	3.1003	2.5350	2.5350
Cl4	1.8339	2.7698	2.3705		3.0128	2.9867	2.9411	3.7461
Cl5	1.8339	2.7698	2.3705	3.0128		2.9867	3.7461	2.9411
H6	2.1707	1.0968	3.1003	2.9867	2.9867		1.7858	1.7858
H7	2.1554	1.0991	2.5350	2.9411	3.7461	1.7858		1.7869
H8	2.1554	1.0991	2.5350	3.7461	2.9411	1.7858	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.018	C1	C2	H7	109.676
C1	C2	H8	109.676	C2	C1	H3	113.343
C2	C1	Cl4	110.972	C2	C1	Cl5	110.972
H3	C1	Cl4	105.419	H3	C1	Cl5	105.419
Cl4	C1	Cl5	110.454	H6	C2	H7	108.834
H6	C2	H8	108.834	H7	C2	H8	108.761

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

using model chemistry: BLYP/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	-0.371
2	C	-0.549
3	H	0.292
4	Cl	-0.035
5	Cl	-0.035
6	H	0.240
7	H	0.229
8	H	0.229

	x	y	z	Total
	-1.194	2.025	0.000	2.351
CHELPG
AIM
ESP

<r²>	152.454
(<r²>)^1/2	12.347

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

using model chemistry: BLYP/6-311G*

States and conformations

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