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	hartrees
Energy at 0K	-999.057515
Energy at 298.15K	-999.062236
Nuclear repulsion energy	208.327809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3057	5.06
2	A'	3165	3033	1.03
3	A'	3078	2949	5.68
4	A'	1456	1395	8.22
5	A'	1396	1338	10.15
6	A'	1299	1245	14.47
7	A'	1115	1069	6.82
8	A'	996	954	15.33
9	A'	658	630	13.97
10	A'	407	390	5.01
11	A'	278	266	1.20
12	A"	3174	3041	5.22
13	A"	1461	1400	1.70
14	A"	1241	1189	36.79
15	A"	1066	1022	44.98
16	A"	705	676	117.19
17	A"	321	307	1.02
18	A"	272	261	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.545	0.000
C2	-1.449	0.958	0.000
H3	0.686	1.398	0.000
Cl4	0.395	-0.400	1.471
Cl5	0.395	-0.400	-1.471
H6	-2.101	0.075	0.000
H7	-1.661	1.559	0.895
H8	-1.661	1.559	-0.895

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5071	1.0948	1.7926	1.7926	2.1525	2.1420	2.1420
C2	1.5071		2.1804	2.7225	2.7225	1.0973	1.0986	1.0986
H3	1.0948	2.1804		2.3413	2.3413	3.0848	2.5171	2.5171
Cl4	1.7926	2.7225	2.3413		2.9424	2.9359	2.8980	3.6966
Cl5	1.7926	2.7225	2.3413	2.9424		2.9359	3.6966	2.8980
H6	2.1525	1.0973	3.0848	2.9359	2.9359		1.7880	1.7880
H7	2.1420	1.0986	2.5171	2.8980	3.6966	1.7880		1.7898
H8	2.1420	1.0986	2.5171	3.6966	2.8980	1.7880	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.487	C1	C2	H7	109.584
C1	C2	H8	109.584	C2	C1	H3	112.900
C2	C1	Cl4	110.891	C2	C1	Cl5	110.891
H3	C1	Cl4	105.812	H3	C1	Cl5	105.812
Cl4	C1	Cl5	110.309	H6	C2	H7	109.030
H6	C2	H8	109.030	H7	C2	H8	109.101

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

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.210
2	C	-0.006
3	H	0.131
4	Cl	-0.066
5	Cl	-0.066
6	H	0.077
7	H	0.070
8	H	0.070

	x	y	z	Total
	-1.095	1.853	0.000	2.152
CHELPG
AIM
ESP

<r²>	146.639
(<r²>)^1/2	12.109

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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