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	hartrees
Energy at 0K	-999.038662
Energy at 298.15K	-999.043180
Nuclear repulsion energy	205.188771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3067	6.50
2	A'	3050	3041	2.59
3	A'	2974	2965	7.36
4	A'	1446	1441	7.58
5	A'	1377	1373	7.26
6	A'	1268	1264	13.51
7	A'	1059	1056	4.20
8	A'	950	947	19.18
9	A'	604	602	13.21
10	A'	386	385	5.16
11	A'	255	254	0.72
12	A"	3035	3026	10.07
13	A"	1451	1447	1.26
14	A"	1203	1199	33.41
15	A"	1040	1037	33.73
16	A"	602	600	130.56
17	A"	305	304	2.04
18	A"	249	248	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
C2	-1.454	0.991	0.000
H3	0.701	1.388	0.000
Cl4	0.396	-0.411	1.500
Cl5	0.396	-0.411	-1.500
H6	-2.120	0.122	0.000
H7	-1.656	1.595	0.893
H8	-1.656	1.595	-0.893

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5182	1.0885	1.8282	1.8282	2.1635	2.1492	2.1492
C2	1.5182		2.1920	2.7641	2.7641	1.0940	1.0963	1.0963
H3	1.0885	2.1920		2.3624	2.3624	3.0919	2.5292	2.5292
Cl4	1.8282	2.7641	2.3624		3.0007	2.9772	2.9329	3.7362
Cl5	1.8282	2.7641	2.3624	3.0007		2.9772	3.7362	2.9329
H6	2.1635	1.0940	3.0919	2.9772	2.9772		1.7829	1.7829
H7	2.1492	1.0963	2.5292	2.9329	3.7362	1.7829		1.7853
H8	2.1492	1.0963	2.5292	3.7362	2.9329	1.7829	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.785	C1	C2	H7	109.516
C1	C2	H8	109.516	C2	C1	H3	113.448
C2	C1	Cl4	111.042	C2	C1	Cl5	111.042
H3	C1	Cl4	105.360	H3	C1	Cl5	105.360
Cl4	C1	Cl5	110.308	H6	C2	H7	108.983
H6	C2	H8	108.983	H7	C2	H8	109.030

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

using model chemistry: BLYP/cc-pVTZ

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	0.003
2	C	-0.229
3	H	0.145
4	Cl	-0.122
5	Cl	-0.122
6	H	0.113
7	H	0.106
8	H	0.106

	x	y	z	Total
	-1.073	1.842	0.000	2.132
CHELPG
AIM
ESP

<r²>	151.194
(<r²>)^1/2	12.296

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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