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	hartrees
Energy at 0K	-539.421250
Energy at 298.15K	-539.426595
Nuclear repulsion energy	101.268763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3021	3012	35.60
2	A'	3007	2998	2.11
3	A'	2957	2948	19.12
4	A'	1468	1464	2.34
5	A'	1456	1452	0.81
6	A'	1380	1376	3.91
7	A'	1273	1269	34.62
8	A'	1052	1049	0.78
9	A'	943	940	21.12
10	A'	610	609	29.48
11	A'	318	317	3.35
12	A"	3065	3056	20.46
13	A"	3034	3025	5.32
14	A"	1450	1445	7.72
15	A"	1240	1236	0.29
16	A"	1040	1037	0.00
17	A"	773	771	2.86
18	A"	248	247	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.697	0.000
C2	0.000	0.831	0.000
H3	1.968	1.699	0.000
H4	1.868	0.162	0.889
H5	1.868	0.162	-0.889
Cl6	-0.827	-0.816	0.000
H7	-0.372	1.342	0.891
H8	-0.372	1.342	-0.891

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5219	1.0997	1.0954	1.0954	2.7891	2.1853	2.1853
C2	1.5219		2.1513	2.1739	2.1739	1.8434	1.0925	1.0925
H3	1.0997	2.1513		1.7785	1.7785	3.7606	2.5299	2.5299
H4	1.0954	2.1739	1.7785		1.7778	3.0014	2.5317	3.0948
H5	1.0954	2.1739	1.7785	1.7778		3.0014	3.0948	2.5317
Cl6	2.7891	1.8434	3.7606	3.0014	3.0014		2.3789	2.3789
H7	2.1853	1.0925	2.5299	2.5317	3.0948	2.3789		1.7821
H8	2.1853	1.0925	2.5299	3.0948	2.5317	2.3789	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.594	C1	C2	H7	112.377
C1	C2	H8	112.377	C2	C1	H3	109.235
C2	C1	H4	111.274	C2	C1	H5	111.274
H3	C1	H4	108.235	H3	C1	H5	108.235
H4	C1	H5	108.490	Cl6	C2	H7	105.369
Cl6	C2	H8	105.369	H7	C2	H8	109.295

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

using model chemistry: BLYP/cc-pVTZ

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	-0.251
2	C	-0.096
3	H	0.091
4	H	0.103
5	H	0.103
6	Cl	-0.184
7	H	0.117
8	H	0.117

	x	y	z	Total
	1.145	1.831	0.000	2.160
CHELPG
AIM
ESP

<r²>	81.252
(<r²>)^1/2	9.014

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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