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	hartrees
Energy at 0K	-539.180706
Energy at 298.15K	-539.186168
Nuclear repulsion energy	102.685623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3005	20.52
2	A'	3125	2972	14.52
3	A'	3079	2928	14.84
4	A'	1528	1453	3.44
5	A'	1517	1443	1.49
6	A'	1438	1368	8.38
7	A'	1346	1280	39.76
8	A'	1111	1056	1.14
9	A'	1005	956	21.67
10	A'	691	657	28.49
11	A'	336	320	3.09
12	A"	3194	3038	19.99
13	A"	3170	3014	1.54
14	A"	1512	1438	8.52
15	A"	1295	1232	0.68
16	A"	1100	1046	0.00
17	A"	798	759	4.43
18	A"	269	256	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.661	0.000
C2	0.000	0.811	0.000
H3	1.970	1.654	0.000
H4	1.846	0.120	0.887
H5	1.846	0.120	-0.887
Cl6	-0.822	-0.789	0.000
H7	-0.355	1.340	0.887
H8	-0.355	1.340	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5124	1.0964	1.0935	1.0935	2.7420	2.1695	2.1695
C2	1.5124		2.1426	2.1617	2.1617	1.7990	1.0919	1.0919
H3	1.0964	2.1426		1.7760	1.7760	3.7100	2.5081	2.5081
H4	1.0935	2.1617	1.7760		1.7741	2.9556	2.5164	3.0790
H5	1.0935	2.1617	1.7760	1.7741		2.9556	3.0790	2.5164
Cl6	2.7420	1.7990	3.7100	2.9556	2.9556		2.3530	2.3530
H7	2.1695	1.0919	2.5081	2.5164	3.0790	2.3530		1.7743
H8	2.1695	1.0919	2.5081	3.0790	2.5164	2.3530	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.503	C1	C2	H7	111.807
C1	C2	H8	111.807	C2	C1	H3	109.396
C2	C1	H4	111.085	C2	C1	H5	111.085
H3	C1	H4	108.384	H3	C1	H5	108.384
H4	C1	H5	108.427	Cl6	C2	H7	106.374
Cl6	C2	H8	106.374	H7	C2	H8	108.673

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

using model chemistry: HSEh1PBE/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	-0.511
2	C	-0.421
3	H	0.183
4	H	0.196
5	H	0.196
6	Cl	-0.082
7	H	0.220
8	H	0.220

	x	y	z	Total
	1.188	1.887	0.000	2.230
CHELPG
AIM
ESP

	x	y	z
x	4.822	0.949	0.000
y	0.949	5.223	0.000
z	0.000	0.000	3.823

<r²>	78.952
(<r²>)^1/2	8.885

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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