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	hartrees
Energy at 0K	-538.159023
Energy at 298.15K	-538.164608
Nuclear repulsion energy	102.548958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	2965	48.47
2	A'	3253	2954	2.07
3	A'	3184	2891	24.09
4	A'	1599	1452	1.55
5	A'	1596	1449	1.21
6	A'	1523	1383	3.88
7	A'	1420	1289	50.90
8	A'	1168	1060	0.95
9	A'	1051	954	20.13
10	A'	704	639	48.00
11	A'	355	323	3.34
12	A"	3325	3019	20.57
13	A"	3280	2978	11.48
14	A"	1582	1436	6.85
15	A"	1368	1242	0.38
16	A"	1157	1051	0.00
17	A"	843	765	2.24
18	A"	286	260	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.507	0.667	0.000
C2	0.000	0.816	0.000
H3	1.966	1.660	0.000
H4	1.846	0.129	0.885
H5	1.846	0.129	-0.885
Cl6	-0.822	-0.793	0.000
H7	-0.359	1.334	0.885
H8	-0.359	1.334	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5138	1.0935	1.0903	1.0903	2.7490	2.1697	2.1697
C2	1.5138		2.1393	2.1595	2.1595	1.8072	1.0866	1.0866
H3	1.0935	2.1393		1.7723	1.7723	3.7137	2.5085	2.5085
H4	1.0903	2.1595	1.7723		1.7702	2.9587	2.5129	3.0737
H5	1.0903	2.1595	1.7723	1.7702		2.9587	3.0737	2.5129
Cl6	2.7490	1.8072	3.7137	2.9587	2.9587		2.3507	2.3507
H7	2.1697	1.0866	2.5085	2.5129	3.0737	2.3507		1.7699
H8	2.1697	1.0866	2.5085	3.0737	2.5129	2.3507	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.432	C1	C2	H7	112.050
C1	C2	H8	112.050	C2	C1	H3	109.205
C2	C1	H4	111.002	C2	C1	H5	111.002
H3	C1	H4	108.506	H3	C1	H5	108.506
H4	C1	H5	108.550	Cl6	C2	H7	105.944
Cl6	C2	H8	105.944	H7	C2	H8	109.061

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

using model chemistry: HF/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	CHELPG
1	C	-0.038	-0.078
2	C	-0.072	0.089
3	H	0.040	0.030
4	H	0.052	0.043
5	H	0.052	0.043
6	Cl	-0.198	-0.248
7	H	0.082	0.060
8	H	0.082	0.060

	x	y	z	Total
	1.260	2.027	0.000	2.387
CHELPG
AIM
ESP

	x	y	z
x	4.848	0.973	0.000
y	0.973	5.352	0.000
z	0.000	0.000	3.785

<r²>	79.395
(<r²>)^1/2	8.910

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

using model chemistry: HF/cc-pVDZ

States and conformations

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