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	hartrees
Energy at 0K	-539.357172
Energy at 298.15K	-539.362515
Nuclear repulsion energy	101.179561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3032	3016	25.05
2	A'	3007	2991	9.91
3	A'	2963	2947	17.12
4	A'	1466	1457	1.29
5	A'	1449	1441	0.53
6	A'	1373	1366	1.50
7	A'	1271	1264	43.73
8	A'	1052	1047	0.73
9	A'	946	941	19.89
10	A'	623	619	30.18
11	A'	318	316	3.31
12	A"	3072	3055	22.27
13	A"	3045	3028	2.08
14	A"	1446	1438	5.12
15	A"	1235	1228	0.37
16	A"	1038	1033	0.00
17	A"	769	765	2.73
18	A"	252	251	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.521	0.690	0.000
C2	0.000	0.830	0.000
H3	1.977	1.694	0.000
H4	1.871	0.150	0.892
H5	1.871	0.150	-0.892
Cl6	-0.830	-0.812	0.000
H7	-0.371	1.347	0.894
H8	-0.371	1.347	-0.894

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5273	1.1036	1.0997	1.0997	2.7890	2.1933	2.1933
C2	1.5273		2.1581	2.1811	2.1811	1.8396	1.0977	1.0977
H3	1.1036	2.1581		1.7864	1.7864	3.7631	2.5368	2.5368
H4	1.0997	2.1811	1.7864		1.7847	3.0022	2.5411	3.1063
H5	1.0997	2.1811	1.7864	1.7847		3.0022	3.1063	2.5411
Cl6	2.7890	1.8396	3.7631	3.0022	3.0022		2.3816	2.3816
H7	2.1933	1.0977	2.5368	2.5411	3.1063	2.3816		1.7886
H8	2.1933	1.0977	2.5368	3.1063	2.5411	2.3816	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.532	C1	C2	H7	112.320
C1	C2	H8	112.320	C2	C1	H3	109.172
C2	C1	H4	111.212	C2	C1	H5	111.212
H3	C1	H4	108.345	H3	C1	H5	108.345
H4	C1	H5	108.468	Cl6	C2	H7	105.559
Cl6	C2	H8	105.559	H7	C2	H8	109.117

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.316
2	C	-0.118
3	H	0.110
4	H	0.125
5	H	0.125
6	Cl	-0.195
7	H	0.134
8	H	0.134

	x	y	z	Total
	1.182	1.856	0.000	2.200
CHELPG
AIM
ESP

	x	y	z
x	5.564	0.991	0.000
y	0.991	5.774	0.000
z	0.000	0.000	4.384

<r²>	80.970
(<r²>)^1/2	8.998

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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