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	hartrees
Energy at 0K	-538.147596
Energy at 298.15K	-538.153173
Nuclear repulsion energy	102.918241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	2944	48.44
2	A'	3238	2932	0.19
3	A'	3175	2875	22.70
4	A'	1618	1466	1.73
5	A'	1613	1461	0.98
6	A'	1538	1393	3.03
7	A'	1435	1299	49.97
8	A'	1167	1057	1.42
9	A'	1046	947	19.01
10	A'	715	647	44.46
11	A'	355	321	2.98
12	A"	3308	2995	19.10
13	A"	3262	2954	11.58
14	A"	1603	1451	5.56
15	A"	1378	1248	0.20
16	A"	1169	1058	0.00
17	A"	843	763	2.01
18	A"	279	253	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.508	0.657	0.000
C2	0.000	0.812	0.000
H3	1.968	1.642	0.000
H4	1.843	0.120	0.880
H5	1.843	0.120	-0.880
Cl6	-0.823	-0.786	0.000
H7	-0.352	1.330	0.880
H8	-0.352	1.330	-0.880

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5160	1.0869	1.0837	1.0837	2.7419	2.1645	2.1645
C2	1.5160		2.1358	2.1560	2.1560	1.7977	1.0797	1.0797
H3	1.0869	2.1358		1.7623	1.7623	3.6996	2.5003	2.5003
H4	1.0837	2.1560	1.7623		1.7597	2.9501	2.5058	3.0618
H5	1.0837	2.1560	1.7623	1.7597		2.9501	3.0618	2.5058
Cl6	2.7419	1.7977	3.6996	2.9501	2.9501		2.3397	2.3397
H7	2.1645	1.0797	2.5003	2.5058	3.0618	2.3397		1.7592
H8	2.1645	1.0797	2.5003	3.0618	2.5058	2.3397	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.394	C1	C2	H7	111.902
C1	C2	H8	111.902	C2	C1	H3	109.173
C2	C1	H4	110.964	C2	C1	H5	110.964
H3	C1	H4	108.557	H3	C1	H5	108.557
H4	C1	H5	108.561	Cl6	C2	H7	106.105
Cl6	C2	H8	106.105	H7	C2	H8	109.107

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

using model chemistry: HF/6-31G(2df,p)

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	-0.406
2	C	-0.205
3	H	0.144
4	H	0.157
5	H	0.157
6	Cl	-0.197
7	H	0.175
8	H	0.175

	x	y	z	Total
	1.247	1.985	0.000	2.345
CHELPG
AIM
ESP

	x	y	z
x	5.125	0.872	0.000
y	0.872	5.459	0.000
z	0.000	0.000	4.190

<r²>	78.924
(<r²>)^1/2	8.884

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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