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	hartrees
Energy at 0K	-28.583452
Energy at 298.15K	-28.589023
Nuclear repulsion energy	42.805518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	2956	72.37
2	A'	3258	2944	4.05
3	A'	3189	2881	32.61
4	A'	1633	1475	1.33
5	A'	1626	1469	1.25
6	A'	1550	1400	3.94
7	A'	1448	1308	64.89
8	A'	1170	1057	0.92
9	A'	1045	945	18.82
10	A'	720	651	51.41
11	A'	351	317	3.34
12	A"	3335	3013	34.72
13	A"	3283	2966	21.32
14	A"	1616	1460	6.19
15	A"	1380	1247	0.26
16	A"	1177	1064	0.06
17	A"	842	760	0.97
18	A"	277	250	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.312	-0.149	0.000
C2	0.000	0.629	0.000
H3	2.142	0.554	0.000
H4	1.391	-0.777	0.881
H5	1.391	-0.777	-0.881
Cl6	-1.424	-0.488	0.000
H7	-0.102	1.247	0.881
H8	-0.102	1.247	-0.881

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5250	1.0884	1.0848	1.0848	2.7562	2.1732	2.1732
C2	1.5250		2.1436	2.1654	2.1654	1.8094	1.0809	1.0809
H3	1.0884	2.1436		1.7641	1.7641	3.7152	2.5086	2.5086
H4	1.0848	2.1654	1.7641		1.7619	2.9639	2.5151	3.0709
H5	1.0848	2.1654	1.7641	1.7619		2.9639	3.0709	2.5151
Cl6	2.7562	1.8094	3.7152	2.9639	2.9639		2.3519	2.3519
H7	2.1732	1.0809	2.5086	2.5151	3.0709	2.3519		1.7621
H8	2.1732	1.0809	2.5086	3.0709	2.5151	2.3519	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.215	C1	C2	H7	111.885
C1	C2	H8	111.885	C2	C1	H3	109.076
C2	C1	H4	111.015	C2	C1	H5	111.015
H3	C1	H4	108.534	H3	C1	H5	108.534
H4	C1	H5	108.598	Cl6	C2	H7	106.167
Cl6	C2	H8	106.167	H7	C2	H8	109.206

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	-0.479
2	C	-0.203
3	H	0.165
4	H	0.175
5	H	0.175
6	Cl	-0.211
7	H	0.189
8	H	0.189

	x	y	z	Total
	2.058	1.380	0.000	2.478
CHELPG
AIM
ESP

	x	y	z
x	5.871	0.801	0.000
y	0.801	4.743	0.000
z	0.000	0.000	4.088

<r²>	57.097
(<r²>)^1/2	7.556

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)