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	hartrees
Energy at 0K	-107.433430
Energy at 298.15K	-107.438245
Nuclear repulsion energy	90.562222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3430	3087	10.80
2	A'	3339	3005	14.30
3	A'	3229	2906	17.15
4	A'	1631	1468	10.33
5	A'	1585	1427	8.32
6	A'	1435	1291	22.70
7	A'	1214	1092	4.84
8	A'	1088	979	18.10
9	A'	646	581	24.89
10	A'	420	378	9.77
11	A'	281	253	2.05
12	A"	3322	2989	18.30
13	A"	1638	1474	6.29
14	A"	1389	1250	63.40
15	A"	1202	1082	46.12
16	A"	701	631	144.41
17	A"	337	303	1.21
18	A"	286	258	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.399	0.000
C2	-1.366	-0.259	0.000
H3	-0.032	1.468	0.000
Cl4	0.952	-0.075	1.509
Cl5	0.952	-0.075	-1.509
H6	-1.273	-1.336	0.000
H7	-1.916	0.044	0.881
H8	-1.916	0.044	-0.881

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5158	1.0697	1.8464	1.8464	2.1516	2.1385	2.1385
C2	1.5158		2.1822	2.7719	2.7719	1.0802	1.0821	1.0821
H3	1.0697	2.1822		2.3723	2.3723	3.0661	2.5207	2.5207
Cl4	1.8464	2.7719	2.3723		3.0183	2.9697	2.9388	3.7354
Cl5	1.8464	2.7719	2.3723	3.0183		2.9697	3.7354	2.9388
H6	2.1516	1.0802	3.0661	2.9697	2.9697		1.7584	1.7584
H7	2.1385	1.0821	2.5207	2.9388	3.7354	1.7584		1.7616
H8	2.1385	1.0821	2.5207	3.7354	2.9388	1.7584	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.835	C1	C2	H7	109.675
C1	C2	H8	109.675	C2	C1	H3	114.023
C2	C1	Cl4	110.678	C2	C1	Cl5	110.678
H3	C1	Cl4	105.786	H3	C1	Cl5	105.786
Cl4	C1	Cl5	109.644	H6	C2	H7	108.826
H6	C2	H8	108.826	H7	C2	H8	108.969

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

using model chemistry: HF/LANL2DZ

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	-0.322
2	C	-0.450
3	H	0.287
4	Cl	-0.069
5	Cl	-0.069
6	H	0.220
7	H	0.202
8	H	0.202

	x	y	z	Total
	-2.970	1.038	0.000	3.146
CHELPG
AIM
ESP

	x	y	z
x	4.854	-0.438	0.000
y	-0.438	3.333	0.000
z	0.000	0.000	7.117

<r²>	95.777
(<r²>)^1/2	9.787

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

using model chemistry: HF/LANL2DZ

States and conformations

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