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	hartrees
Energy at 0K	-539.360358
Energy at 298.15K	-539.365700
Nuclear repulsion energy	100.837895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	3017	32.46
2	A'	3016	3000	8.08
3	A'	2963	2947	20.66
4	A'	1470	1462	3.30
5	A'	1458	1450	0.98
6	A'	1380	1373	5.42
7	A'	1282	1276	49.72
8	A'	1053	1048	0.79
9	A'	944	939	23.16
10	A'	610	607	35.23
11	A'	318	317	3.68
12	A"	3080	3064	20.48
13	A"	3050	3034	5.74
14	A"	1452	1444	9.08
15	A"	1237	1231	0.79
16	A"	1045	1040	0.02
17	A"	772	768	3.22
18	A"	256	254	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.522	0.701	0.000
C2	0.000	0.833	0.000
H3	1.971	1.710	0.000
H4	1.878	0.165	0.893
H5	1.878	0.165	-0.893
Cl6	-0.830	-0.820	0.000
H7	-0.372	1.349	0.896
H8	-0.372	1.349	-0.896

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5279	1.1048	1.1006	1.1006	2.8013	2.1934	2.1934
C2	1.5279		2.1576	2.1843	2.1843	1.8503	1.0982	1.0982
H3	1.1048	2.1576		1.7869	1.7869	3.7751	2.5349	2.5349
H4	1.1006	2.1843	1.7869		1.7867	3.0172	2.5424	3.1087
H5	1.1006	2.1843	1.7869	1.7867		3.0172	3.1087	2.5424
Cl6	2.8013	1.8503	3.7751	3.0172	3.0172		2.3907	2.3907
H7	2.1934	1.0982	2.5349	2.5424	3.1087	2.3907		1.7911
H8	2.1934	1.0982	2.5349	3.1087	2.5424	2.3907	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.680	C1	C2	H7	112.240
C1	C2	H8	112.240	C2	C1	H3	109.015
C2	C1	H4	111.360	C2	C1	H5	111.360
H3	C1	H4	108.242	H3	C1	H5	108.242
H4	C1	H5	108.521	Cl6	C2	H7	105.494
Cl6	C2	H8	105.494	H7	C2	H8	109.265

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

using model chemistry: BLYP/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
1	C	-0.456
2	C	-0.330
3	H	0.153
4	H	0.167
5	H	0.167
6	Cl	-0.077
7	H	0.188
8	H	0.188

	x	y	z	Total
	1.247	2.010	0.000	2.366
CHELPG
AIM
ESP

<r²>	82.010
(<r²>)^1/2	9.056

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

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

States and conformations

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