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	hartrees
Energy at 0K	-539.411176
Energy at 298.15K	-539.416639
Nuclear repulsion energy	102.668980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3001	20.89
2	A'	3131	2969	14.32
3	A'	3085	2925	15.15
4	A'	1534	1455	3.47
5	A'	1523	1444	1.55
6	A'	1444	1369	8.08
7	A'	1351	1281	40.09
8	A'	1112	1054	1.29
9	A'	1007	955	21.74
10	A'	691	655	28.66
11	A'	336	318	3.08
12	A"	3200	3035	19.89
13	A"	3175	3011	1.82
14	A"	1518	1439	8.48
15	A"	1299	1232	0.68
16	A"	1103	1046	0.00
17	A"	800	759	4.48
18	A"	268	254	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.662	0.000
C2	0.000	0.811	0.000
H3	1.969	1.655	0.000
H4	1.847	0.123	0.886
H5	1.847	0.123	-0.886
Cl6	-0.823	-0.789	0.000
H7	-0.355	1.339	0.886
H8	-0.355	1.339	-0.886

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5130	1.0952	1.0923	1.0923	2.7440	2.1690	2.1690
C2	1.5130		2.1417	2.1615	2.1615	1.7999	1.0907	1.0907
H3	1.0952	2.1417		1.7740	1.7740	3.7104	2.5068	2.5068
H4	1.0923	2.1615	1.7740		1.7725	2.9576	2.5156	3.0774
H5	1.0923	2.1615	1.7740	1.7725		2.9576	3.0774	2.5156
Cl6	2.7440	1.7999	3.7104	2.9576	2.9576		2.3524	2.3524
H7	2.1690	1.0907	2.5068	2.5156	3.0774	2.3524		1.7726
H8	2.1690	1.0907	2.5068	3.0774	2.5156	2.3524	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.549	C1	C2	H7	111.805
C1	C2	H8	111.805	C2	C1	H3	109.352
C2	C1	H4	111.099	C2	C1	H5	111.099
H3	C1	H4	108.380	H3	C1	H5	108.380
H4	C1	H5	108.450	Cl6	C2	H7	106.335
Cl6	C2	H8	106.335	H7	C2	H8	108.707

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

using model chemistry: mPW1PW91/6-31G*

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	-0.515
2	C	-0.423
3	H	0.184
4	H	0.198
5	H	0.198
6	Cl	-0.084
7	H	0.221
8	H	0.221

	x	y	z	Total
	1.197	1.899	0.000	2.245
CHELPG
AIM
ESP

<r²>	78.961
(<r²>)^1/2	8.886

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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