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	hartrees
Energy at 0K	-996.940557
Energy at 298.15K	-996.945365
Nuclear repulsion energy	203.965479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3085	10.12
2	A'	3337	3004	13.73
3	A'	3227	2906	17.67
4	A'	1631	1469	10.75
5	A'	1585	1427	8.56
6	A'	1432	1289	23.81
7	A'	1211	1091	3.97
8	A'	1086	978	16.86
9	A'	642	578	22.77
10	A'	417	375	8.63
11	A'	279	252	1.85
12	A"	3318	2987	17.86
13	A"	1638	1475	6.04
14	A"	1382	1244	66.88
15	A"	1201	1082	45.18
16	A"	699	630	140.98
17	A"	336	302	1.08
18	A"	288	259	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.576	0.000
C2	-1.457	0.993	0.000
H3	0.687	1.396	0.000
Cl4	0.397	-0.415	1.513
Cl5	0.397	-0.415	-1.513
H6	-2.104	0.128	0.000
H7	-1.667	1.586	0.881
H8	-1.667	1.586	-0.881

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5156	1.0698	1.8522	1.8522	2.1512	2.1388	2.1388
C2	1.5156		2.1822	2.7767	2.7767	1.0802	1.0822	1.0822
H3	1.0698	2.1822		2.3779	2.3779	3.0660	2.5212	2.5212
Cl4	1.8522	2.7767	2.3779		3.0269	2.9730	2.9434	3.7410
Cl5	1.8522	2.7767	2.3779	3.0269		2.9730	3.7410	2.9434
H6	2.1512	1.0802	3.0660	2.9730	2.9730		1.7584	1.7584
H7	2.1388	1.0822	2.5212	2.9434	3.7410	1.7584		1.7613
H8	2.1388	1.0822	2.5212	3.7410	2.9434	1.7584	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.826	C1	C2	H7	109.711
C1	C2	H8	109.711	C2	C1	H3	114.032
C2	C1	Cl4	110.677	C2	C1	Cl5	110.677
H3	C1	Cl4	105.805	H3	C1	Cl5	105.805
Cl4	C1	Cl5	109.597	H6	C2	H7	108.813
H6	C2	H8	108.813	H7	C2	H8	108.931

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

using model chemistry: HF/SDD

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	-0.462
3	H	0.290
4	Cl	-0.065
5	Cl	-0.065
6	H	0.223
7	H	0.205
8	H	0.205

	x	y	z	Total
	-1.461	2.641	0.000	3.018
CHELPG
AIM
ESP

	x	y	z
x	4.071	-0.815	0.000
y	-0.815	4.706	0.000
z	0.000	0.000	7.384

<r²>	153.267
(<r²>)^1/2	12.380

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

using model chemistry: HF/SDD

States and conformations

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