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	hartrees
Energy at 0K	-533.352640
Energy at 298.15K	-533.357843
Nuclear repulsion energy	99.487389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3119	0.48
2	A'	3238	2996	1.89
3	A'	3215	2975	0.11
4	A'	1632	1510	2.71
5	A'	1583	1465	0.50
6	A'	1516	1403	0.91
7	A'	1366	1264	31.23
8	A'	1120	1036	5.35
9	A'	1023	947	13.94
10	A'	724	670	12.19
11	A'	316	292	2.68
12	A"	3394	3140	0.62
13	A"	3354	3103	0.64
14	A"	1619	1498	3.86
15	A"	1317	1218	0.26
16	A"	1103	1021	2.13
17	A"	812	752	3.55
18	A"	221	205	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.554	0.693	0.000
C2	0.000	0.847	0.000
H3	2.016	1.703	0.000
H4	1.893	0.146	0.902
H5	1.893	0.146	-0.902
Cl6	-0.847	-0.823	0.000
H7	-0.361	1.379	0.909
H8	-0.361	1.379	-0.909

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5619	1.1106	1.1079	1.1079	2.8404	2.2281	2.2281
C2	1.5619		2.1904	2.2111	2.2111	1.8726	1.1134	1.1134
H3	1.1106	2.1904		1.8036	1.8036	3.8187	2.5651	2.5651
H4	1.1079	2.2111	1.8036		1.8037	3.0440	2.5694	3.1433
H5	1.1079	2.2111	1.8036	1.8037		3.0440	3.1433	2.5694
Cl6	2.8404	1.8726	3.8187	3.0440	3.0440		2.4317	2.4317
H7	2.2281	1.1134	2.5651	2.5694	3.1433	2.4317		1.8175
H8	2.2281	1.1134	2.5651	3.1433	2.5694	2.4317	1.8175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.272	C1	C2	H7	111.686
C1	C2	H8	111.686	C2	C1	H3	108.917
C2	C1	H4	110.676	C2	C1	H5	110.676
H3	C1	H4	108.773	H3	C1	H5	108.773
H4	C1	H5	108.980	Cl6	C2	H7	106.252
Cl6	C2	H8	106.252	H7	C2	H8	109.410

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

using model chemistry: BLYP/STO-3G

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	-0.209
2	C	-0.093
3	H	0.085
4	H	0.089
5	H	0.089
6	Cl	-0.166
7	H	0.102
8	H	0.102

	x	y	z	Total
	1.253	1.974	0.000	2.339
CHELPG
AIM
ESP

	x	y	z
x	2.364	0.813	0.000
y	0.813	2.955	0.000
z	0.000	0.000	1.681

<r²>	82.198
(<r²>)^1/2	9.066

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

using model chemistry: BLYP/STO-3G

States and conformations

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