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	hartrees
Energy at 0K	-994.091062
Energy at 298.15K	-994.095504
Nuclear repulsion energy	199.486072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3117	2.23
2	A'	3081	3064	1.99
3	A'	2993	2976	2.26
4	A'	1506	1498	8.65
5	A'	1429	1421	13.31
6	A'	1278	1271	20.11
7	A'	1074	1068	5.65
8	A'	962	957	27.63
9	A'	568	565	17.56
10	A'	366	364	7.75
11	A'	234	232	1.18
12	A"	3054	3037	4.19
13	A"	1512	1504	3.22
14	A"	1181	1174	59.08
15	A"	1070	1064	31.56
16	A"	579	576	141.50
17	A"	302	300	2.07
18	A"	260	258	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.610	0.000
C2	-1.464	1.012	0.000
H3	0.725	1.426	0.000
Cl4	0.398	-0.427	1.555
Cl5	0.398	-0.427	-1.555
H6	-2.105	0.120	0.000
H7	-1.678	1.613	0.899
H8	-1.678	1.613	-0.899

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5185	1.0913	1.9110	1.9110	2.1617	2.1512	2.1512
C2	1.5185		2.2280	2.8206	2.8206	1.0987	1.1020	1.1020
H3	1.0913	2.2280		2.4410	2.4410	3.1171	2.5719	2.5719
Cl4	1.9110	2.8206	2.4410		3.1101	2.9969	2.9831	3.8065
Cl5	1.9110	2.8206	2.4410	3.1101		2.9969	3.8065	2.9831
H6	2.1617	1.0987	3.1171	2.9969	2.9969		1.7948	1.7948
H7	2.1512	1.1020	2.5719	2.9831	3.8065	1.7948		1.7974
H8	2.1512	1.1020	2.5719	3.8065	2.9831	1.7948	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.341	C1	C2	H7	109.323
C1	C2	H8	109.323	C2	C1	H3	116.279
C2	C1	Cl4	110.138	C2	C1	Cl5	110.138
H3	C1	Cl4	105.514	H3	C1	Cl5	105.514
Cl4	C1	Cl5	108.923	H6	C2	H7	109.280
H6	C2	H8	109.280	H7	C2	H8	109.277

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

using model chemistry: BLYP/3-21G

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	-0.489
2	C	-0.504
3	H	0.290
4	Cl	0.014
5	Cl	0.014
6	H	0.233
7	H	0.221
8	H	0.221

	x	y	z	Total
	-1.389	2.434	0.000	2.802
CHELPG
AIM
ESP

<r²>	158.701
(<r²>)^1/2	12.598

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

using model chemistry: BLYP/3-21G

States and conformations

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