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	hartrees
Energy at 0K	-539.455032
Energy at 298.15K	-539.460481
Nuclear repulsion energy	102.832412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3003	30.91
2	A'	3107	2978	14.02
3	A'	3058	2931	18.73
4	A'	1513	1451	3.84
5	A'	1500	1438	1.15
6	A'	1422	1363	8.91
7	A'	1336	1281	40.55
8	A'	1103	1057	0.83
9	A'	995	954	22.92
10	A'	677	649	31.48
11	A'	328	315	2.84
12	A"	3173	3042	25.22
13	A"	3143	3013	4.28
14	A"	1498	1436	9.91
15	A"	1288	1235	1.71
16	A"	1093	1047	0.18
17	A"	791	758	4.85
18	A"	268	257	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.500	0.663	0.000
C2	0.000	0.814	0.000
H3	1.968	1.651	0.000
H4	1.842	0.125	0.883
H5	1.842	0.125	-0.883
Cl6	-0.820	-0.790	0.000
H7	-0.359	1.335	0.885
H8	-0.359	1.335	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5072	1.0930	1.0899	1.0899	2.7371	2.1651	2.1651
C2	1.5072		2.1383	2.1562	2.1562	1.8013	1.0877	1.0877
H3	1.0930	2.1383		1.7679	1.7679	3.7052	2.5088	2.5088
H4	1.0899	2.1562	1.7679		1.7668	2.9501	2.5120	3.0718
H5	1.0899	2.1562	1.7679	1.7668		2.9501	3.0718	2.5120
Cl6	2.7371	1.8013	3.7052	2.9501	2.9501		2.3479	2.3479
H7	2.1651	1.0877	2.5088	2.5120	3.0718	2.3479		1.7691
H8	2.1651	1.0877	2.5088	3.0718	2.5120	2.3479	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.336	C1	C2	H7	112.090
C1	C2	H8	112.090	C2	C1	H3	109.621
C2	C1	H4	111.232	C2	C1	H5	111.232
H3	C1	H4	108.177	H3	C1	H5	108.177
H4	C1	H5	108.297	Cl6	C2	H7	106.074
Cl6	C2	H8	106.074	H7	C2	H8	108.820

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

using model chemistry: B1B95/6-311G*

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	-0.637
2	C	-0.506
3	H	0.227
4	H	0.242
5	H	0.242
6	Cl	-0.100
7	H	0.266
8	H	0.266

	x	y	z	Total
	1.230	1.932	0.000	2.290
CHELPG
AIM
ESP

	x	y	z
x	5.211	1.092	0.000
y	1.092	5.630	0.000
z	0.000	0.000	3.915

<r²>	79.079
(<r²>)^1/2	8.893

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

using model chemistry: B1B95/6-311G*

States and conformations

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