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	hartrees
Energy at 0K	-999.055476
Energy at 298.15K	-999.060177
Nuclear repulsion energy	208.737037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3046	7.08
2	A'	3168	3025	0.73
3	A'	3084	2944	5.52
4	A'	1487	1419	7.67
5	A'	1417	1353	10.60
6	A'	1312	1253	14.16
7	A'	1114	1064	4.81
8	A'	998	953	15.50
9	A'	657	627	14.25
10	A'	404	386	5.28
11	A'	277	264	1.47
12	A"	3174	3030	6.50
13	A"	1492	1424	1.89
14	A"	1269	1212	41.97
15	A"	1075	1027	46.46
16	A"	703	671	122.37
17	A"	317	303	0.78
18	A"	272	259	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	0.498	0.000
C2	-0.968	1.438	0.000
H3	1.162	1.024	0.000
Cl4	0.210	-0.519	1.470
Cl5	0.210	-0.519	-1.470
H6	-1.903	0.878	0.000
H7	-0.932	2.070	0.889
H8	-0.932	2.070	-0.889

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5075	1.0875	1.7884	1.7884	2.1476	2.1371	2.1371
C2	1.5075		2.1705	2.7173	2.7173	1.0901	1.0913	1.0913
H3	1.0875	2.1705		2.3348	2.3348	3.0691	2.5044	2.5044
Cl4	1.7884	2.7173	2.3348		2.9410	2.9296	2.8898	3.6850
Cl5	1.7884	2.7173	2.3348	2.9410		2.9296	3.6850	2.8898
H6	2.1476	1.0901	3.0691	2.9296	2.9296		1.7762	1.7762
H7	2.1371	1.0913	2.5044	2.8898	3.6850	1.7762		1.7777
H8	2.1371	1.0913	2.5044	3.6850	2.8898	1.7762	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.502	C1	C2	H7	109.595
C1	C2	H8	109.595	C2	C1	H3	112.517
C2	C1	Cl4	110.779	C2	C1	Cl5	110.779
H3	C1	Cl4	105.975	H3	C1	Cl5	105.975
Cl4	C1	Cl5	110.623	H6	C2	H7	109.027
H6	C2	H8	109.027	H7	C2	H8	109.069

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

using model chemistry: B1B95/6-31G**

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
1	C	-0.329
2	C	-0.347
3	H	0.222
4	Cl	-0.013
5	Cl	-0.013
6	H	0.168
7	H	0.156
8	H	0.156

	x	y	z	Total
	-0.288	2.219	0.000	2.238
CHELPG
AIM
ESP

	x	y	z
x	4.696	-0.477	0.000
y	-0.477	5.915	0.000
z	0.000	0.000	7.587

<r²>	146.300
(<r²>)^1/2	12.095

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

using model chemistry: B1B95/6-31G**

States and conformations

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