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	hartrees
Energy at 0K	-539.420234
Energy at 298.15K	-539.425694
Nuclear repulsion energy	102.655122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3004	20.16
2	A'	3122	2971	14.33
3	A'	3073	2925	16.39
4	A'	1509	1436	4.17
5	A'	1500	1427	1.78
6	A'	1423	1355	10.82
7	A'	1336	1271	40.69
8	A'	1103	1050	0.82
9	A'	998	950	23.07
10	A'	687	653	29.81
11	A'	335	319	3.02
12	A"	3193	3039	15.76
13	A"	3167	3014	2.91
14	A"	1493	1421	10.41
15	A"	1284	1222	0.90
16	A"	1092	1040	0.00
17	A"	794	756	3.65
18	A"	266	253	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.664	0.000
C2	0.000	0.811	0.000
H3	1.966	1.658	0.000
H4	1.849	0.126	0.886
H5	1.849	0.126	-0.886
Cl6	-0.823	-0.791	0.000
H7	-0.356	1.337	0.887
H8	-0.356	1.337	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5126	1.0947	1.0918	1.0918	2.7454	2.1684	2.1684
C2	1.5126		2.1404	2.1614	2.1614	1.8008	1.0902	1.0902
H3	1.0947	2.1404		1.7727	1.7727	3.7108	2.5059	2.5059
H4	1.0918	2.1614	1.7727		1.7716	2.9601	2.5149	3.0767
H5	1.0918	2.1614	1.7727	1.7716		2.9601	3.0767	2.5149
Cl6	2.7454	1.8008	3.7108	2.9601	2.9601		2.3514	2.3514
H7	2.1684	1.0902	2.5059	2.5149	3.0767	2.3514		1.7731
H8	2.1684	1.0902	2.5059	3.0767	2.5149	2.3514	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.607	C1	C2	H7	111.813
C1	C2	H8	111.813	C2	C1	H3	109.312
C2	C1	H4	111.154	C2	C1	H5	111.154
H3	C1	H4	108.343	H3	C1	H5	108.343
H4	C1	H5	108.449	Cl6	C2	H7	106.234
Cl6	C2	H8	106.234	H7	C2	H8	108.826

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.526
2	C	-0.414
3	H	0.176
4	H	0.189
5	H	0.189
6	Cl	-0.040
7	H	0.213
8	H	0.213

	x	y	z	Total
	1.221	1.952	0.000	2.303
CHELPG
AIM
ESP

<r²>	79.259
(<r²>)^1/2	8.903

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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