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	hartrees
Energy at 0K	-539.447191
Energy at 298.15K	-539.452623
Nuclear repulsion energy	101.772614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3106	3013	23.31
2	A'	3078	2986	13.04
3	A'	3030	2939	16.92
4	A'	1474	1430	2.10
5	A'	1468	1424	0.35
6	A'	1395	1353	3.39
7	A'	1297	1258	41.09
8	A'	1085	1053	0.78
9	A'	982	953	20.37
10	A'	656	637	30.66
11	A'	330	321	3.33
12	A"	3145	3051	20.83
13	A"	3118	3025	2.59
14	A"	1454	1411	7.18
15	A"	1259	1221	0.48
16	A"	1059	1027	0.02
17	A"	788	765	3.34
18	A"	269	261	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.682	0.000
C2	0.000	0.821	0.000
H3	1.971	1.686	0.000
H4	1.861	0.141	0.893
H5	1.861	0.141	-0.893
Cl6	-0.825	-0.805	0.000
H7	-0.369	1.344	0.894
H8	-0.369	1.344	-0.894

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5169	1.1043	1.1010	1.1010	2.7683	2.1835	2.1835
C2	1.5169		2.1521	2.1731	2.1731	1.8231	1.0990	1.0990
H3	1.1043	2.1521		1.7874	1.7874	3.7439	2.5275	2.5275
H4	1.1010	2.1731	1.7874		1.7856	2.9840	2.5332	3.0998
H5	1.1010	2.1731	1.7874	1.7856		2.9840	3.0998	2.5332
Cl6	2.7683	1.8231	3.7439	2.9840	2.9840		2.3713	2.3713
H7	2.1835	1.0990	2.5275	2.5332	3.0998	2.3713		1.7875
H8	2.1835	1.0990	2.5275	3.0998	2.5332	2.3713	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.631	C1	C2	H7	112.186
C1	C2	H8	112.186	C2	C1	H3	109.367
C2	C1	H4	111.222	C2	C1	H5	111.222
H3	C1	H4	108.289	H3	C1	H5	108.289
H4	C1	H5	108.359	Cl6	C2	H7	105.808
Cl6	C2	H8	105.808	H7	C2	H8	108.826

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.009
2	C	-0.076
3	H	0.029
4	H	0.040
5	H	0.040
6	Cl	-0.159
7	H	0.067
8	H	0.067

	x	y	z	Total
	1.121	1.795	0.000	2.116
CHELPG
AIM
ESP

	x	y	z
x	5.155	1.006	0.000
y	1.006	5.523	0.000
z	0.000	0.000	3.949

<r²>	80.174
(<r²>)^1/2	8.954

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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