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	hartrees
Energy at 0K	-536.830071
Energy at 298.15K	-536.835531
Nuclear repulsion energy	101.933184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3008	17.64
2	A'	3109	2983	7.30
3	A'	3059	2935	11.03
4	A'	1560	1497	6.10
5	A'	1538	1476	5.73
6	A'	1463	1403	12.46
7	A'	1347	1292	28.60
8	A'	1107	1062	6.04
9	A'	990	950	20.61
10	A'	649	622	28.58
11	A'	341	327	3.24
12	A"	3179	3050	12.95
13	A"	3148	3020	2.41
14	A"	1546	1483	11.55
15	A"	1315	1262	1.00
16	A"	1107	1062	0.21
17	A"	818	785	7.78
18	A"	265	254	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.661	0.000
C2	0.000	0.829	0.000
H3	1.993	1.650	0.000
H4	1.842	0.113	0.890
H5	1.842	0.113	-0.890
Cl6	-0.828	-0.795	0.000
H7	-0.351	1.352	0.893
H8	-0.351	1.352	-0.893

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5249	1.0982	1.0945	1.0945	2.7586	2.1811	2.1811
C2	1.5249		2.1551	2.1673	2.1673	1.8231	1.0922	1.0922
H3	1.0982	2.1551		1.7819	1.7819	3.7326	2.5252	2.5252
H4	1.0945	2.1673	1.7819		1.7795	2.9571	2.5183	3.0852
H5	1.0945	2.1673	1.7819	1.7795		2.9571	3.0852	2.5183
Cl6	2.7586	1.8231	3.7326	2.9571	2.9571		2.3737	2.3737
H7	2.1811	1.0922	2.5252	2.5183	3.0852	2.3737		1.7851
H8	2.1811	1.0922	2.5252	3.0852	2.5183	2.3737	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.653	C1	C2	H7	111.835
C1	C2	H8	111.835	C2	C1	H3	109.407
C2	C1	H4	110.595	C2	C1	H5	110.595
H3	C1	H4	108.712	H3	C1	H5	108.712
H4	C1	H5	108.775	Cl6	C2	H7	106.305
Cl6	C2	H8	106.305	H7	C2	H8	109.618

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

using model chemistry: B3PW91/3-21G*

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	-0.627
2	C	-0.534
3	H	0.225
4	H	0.238
5	H	0.238
6	Cl	-0.071
7	H	0.265
8	H	0.265

	x	y	z	Total
	1.242	1.944	0.000	2.307
CHELPG
AIM
ESP

<r²>	79.826
(<r²>)^1/2	8.935

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

using model chemistry: B3PW91/3-21G*

States and conformations

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