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	hartrees
Energy at 0K	-539.347966
Energy at 298.15K	-539.353321
HF Energy	-539.347966
Nuclear repulsion energy	100.911734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3040	3016	30.80
2	A'	3018	2994	10.75
3	A'	2972	2948	18.29
4	A'	1496	1483	2.02
5	A'	1480	1468	0.79
6	A'	1401	1390	2.84
7	A'	1298	1288	48.85
8	A'	1065	1056	1.28
9	A'	954	946	20.31
10	A'	618	613	32.50
11	A'	320	317	3.78
12	A"	3081	3056	28.67
13	A"	3054	3030	2.66
14	A"	1476	1464	6.00
15	A"	1254	1243	0.56
16	A"	1058	1049	0.00
17	A"	779	773	3.60
18	A"	261	259	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.527	0.690	0.000
C2	0.000	0.822	0.000
H3	1.983	1.695	0.000
H4	1.879	0.150	0.893
H5	1.879	0.150	-0.893
Cl6	-0.834	-0.810	0.000
H7	-0.359	1.354	0.892
H8	-0.359	1.354	-0.892

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5325	1.1043	1.1009	1.1009	2.7971	2.1898	2.1898
C2	1.5325		2.1664	2.1861	2.1861	1.8333	1.0993	1.0993
H3	1.1043	2.1664		1.7874	1.7874	3.7701	2.5294	2.5294
H4	1.1009	2.1861	1.7874		1.7859	3.0136	2.5415	3.1059
H5	1.1009	2.1861	1.7874	1.7859		3.0136	3.1059	2.5415
Cl6	2.7971	1.8333	3.7701	3.0136	3.0136		2.3889	2.3889
H7	2.1898	1.0993	2.5294	2.5415	3.1059	2.3889		1.7847
H8	2.1898	1.0993	2.5294	3.1059	2.5415	2.3889	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.105	C1	C2	H7	111.566
C1	C2	H8	111.566	C2	C1	H3	109.422
C2	C1	H4	111.168	C2	C1	H5	111.168
H3	C1	H4	108.296	H3	C1	H5	108.296
H4	C1	H5	108.399	Cl6	C2	H7	106.388
Cl6	C2	H8	106.388	H7	C2	H8	108.535

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

using model chemistry: BLYP/6-31G*

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	-0.393
2	C	-0.315
3	H	0.142
4	H	0.158
5	H	0.158
6	Cl	-0.108
7	H	0.179
8	H	0.179

	x	y	z	Total
	1.201	1.923	0.000	2.267
CHELPG
AIM
ESP

	x	y	z
x	5.025	1.063	0.000
y	1.063	5.447	0.000
z	0.000	0.000	3.896

<r²>	81.394
(<r²>)^1/2	9.022

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

using model chemistry: BLYP/6-31G*

States and conformations

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