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	hartrees
Energy at 0K	-28.529891
Energy at 298.15K	-28.535424
Nuclear repulsion energy	42.291537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	2974	54.18
2	A'	3243	2959	8.31
3	A'	3156	2880	30.12
4	A'	1637	1494	4.81
5	A'	1621	1479	1.39
6	A'	1563	1427	6.93
7	A'	1441	1315	66.92
8	A'	1184	1080	2.03
9	A'	1062	969	22.15
10	A'	643	587	63.97
11	A'	342	312	5.42
12	A"	3346	3053	25.73
13	A"	3271	2985	23.53
14	A"	1620	1478	8.69
15	A"	1381	1260	1.45
16	A"	1176	1073	0.02
17	A"	858	783	2.23
18	A"	261	239	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.332	-0.091	0.000
C2	0.000	0.653	0.000
H3	2.143	0.634	0.000
H4	1.431	-0.716	0.880
H5	1.431	-0.716	-0.880
Cl6	-1.434	-0.564	0.000
H7	-0.147	1.250	0.886
H8	-0.147	1.250	-0.886

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5257	1.0880	1.0836	1.0836	2.8067	2.1843	2.1843
C2	1.5257		2.1435	2.1669	2.1669	1.8808	1.0783	1.0783
H3	1.0880	2.1435		1.7618	1.7618	3.7730	2.5320	2.5320
H4	1.0836	2.1669	1.7618		1.7591	3.0014	2.5213	3.0778
H5	1.0836	2.1669	1.7618	1.7591		3.0014	3.0778	2.5213
Cl6	2.8067	1.8808	3.7730	3.0014	3.0014		2.3937	2.3937
H7	2.1843	1.0783	2.5320	2.5213	3.0778	2.3937		1.7713
H8	2.1843	1.0783	2.5320	3.0778	2.5213	2.3937	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.528	C1	C2	H7	112.909
C1	C2	H8	112.909	C2	C1	H3	109.042
C2	C1	H4	111.162	C2	C1	H5	111.162
H3	C1	H4	108.438	H3	C1	H5	108.438
H4	C1	H5	108.520	Cl6	C2	H7	104.712
Cl6	C2	H8	104.712	H7	C2	H8	110.443

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)

using model chemistry: HF/CEP-121G

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	-0.403
2	C	-0.340
3	H	0.153
4	H	0.168
5	H	0.168
6	Cl	-0.127
7	H	0.191
8	H	0.191

	x	y	z	Total
	2.551	1.846	0.000	3.149
CHELPG
AIM
ESP

	x	y	z
x	5.809	1.227	0.000
y	1.227	4.630	0.000
z	0.000	0.000	3.643

<r²>	58.635
(<r²>)^1/2	7.657

All results from a given calculation for CH3CH2Cl (Ethyl chloride)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)