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	hartrees
Energy at 0K	-999.026920
Energy at 298.15K	-999.031586
Nuclear repulsion energy	206.747755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3052	6.20
2	A'	3145	3033	1.41
3	A'	3058	2949	7.41
4	A'	1488	1434	8.42
5	A'	1422	1371	9.96
6	A'	1309	1262	15.13
7	A'	1101	1062	3.79
8	A'	988	953	17.06
9	A'	638	615	14.09
10	A'	403	389	5.46
11	A'	273	263	1.12
12	A"	3135	3023	8.11
13	A"	1491	1438	2.74
14	A"	1265	1220	45.62
15	A"	1077	1038	42.67
16	A"	668	644	136.54
17	A"	320	308	1.22
18	A"	266	257	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.547	0.000
C2	-1.455	0.972	0.000
H3	0.684	1.393	0.000
Cl4	0.396	-0.404	1.487
Cl5	0.396	-0.404	-1.487
H6	-2.113	0.100	0.000
H7	-1.661	1.573	0.891
H8	-1.661	1.573	-0.891

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5157	1.0881	1.8093	1.8093	2.1599	2.1453	2.1453
C2	1.5157		2.1806	2.7445	2.7445	1.0923	1.0939	1.0939
H3	1.0881	2.1806		2.3505	2.3505	3.0820	2.5149	2.5149
Cl4	1.8093	2.7445	2.3505		2.9736	2.9601	2.9148	3.7138
Cl5	1.8093	2.7445	2.3505	2.9736		2.9601	3.7138	2.9148
H6	2.1599	1.0923	3.0820	2.9601	2.9601		1.7796	1.7796
H7	2.1453	1.0939	2.5149	2.9148	3.7138	1.7796		1.7813
H8	2.1453	1.0939	2.5149	3.7138	2.9148	1.7796	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.778	C1	C2	H7	109.525
C1	C2	H8	109.525	C2	C1	H3	112.719
C2	C1	Cl4	110.956	C2	C1	Cl5	110.956
H3	C1	Cl4	105.729	H3	C1	Cl5	105.729
Cl4	C1	Cl5	110.521	H6	C2	H7	108.986
H6	C2	H8	108.986	H7	C2	H8	109.013

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	-0.179	-0.012
2	C	-0.515	-0.200
3	H	0.231	0.165
4	Cl	-0.035	-0.125
5	Cl	-0.035	-0.125
6	H	0.185	0.111
7	H	0.174	0.093
8	H	0.174	0.093

	x	y	z	Total
	-1.162	2.001	0.000	2.314
CHELPG
AIM
ESP	-1.148	2.093	0.000	2.387

	x	y	z
x	6.463	-0.765	0.000
y	-0.765	6.503	0.000
z	0.000	0.000	8.798

<r²>	149.398
(<r²>)^1/2	12.223

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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