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	hartrees
Energy at 0K	-538.193628
Energy at 298.15K	-538.199206
HF Energy	-538.193628
Nuclear repulsion energy	103.063676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	2939	50.18
2	A'	3226	2924	3.35
3	A'	3167	2871	25.10
4	A'	1620	1468	2.43
5	A'	1614	1463	1.10
6	A'	1539	1395	3.52
7	A'	1437	1302	45.18
8	A'	1168	1059	1.27
9	A'	1046	948	18.70
10	A'	711	645	43.55
11	A'	355	322	2.96
12	A"	3296	2987	20.98
13	A"	3247	2943	14.02
14	A"	1602	1452	7.43
15	A"	1381	1251	0.13
16	A"	1171	1061	0.01
17	A"	846	766	1.92
18	A"	277	251	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.657	0.000
C2	0.000	0.811	0.000
H3	1.964	1.640	0.000
H4	1.839	0.122	0.878
H5	1.839	0.122	-0.878
Cl6	-0.822	-0.785	0.000
H7	-0.351	1.328	0.878
H8	-0.351	1.328	-0.878

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5126	1.0848	1.0815	1.0815	2.7374	2.1595	2.1595
C2	1.5126		2.1320	2.1515	2.1515	1.7951	1.0773	1.0773
H3	1.0848	2.1320		1.7583	1.7583	3.6936	2.4955	2.4955
H4	1.0815	2.1515	1.7583		1.7560	2.9453	2.5003	3.0551
H5	1.0815	2.1515	1.7583	1.7560		2.9453	3.0551	2.5003
Cl6	2.7374	1.7951	3.6936	2.9453	2.9453		2.3357	2.3357
H7	2.1595	1.0773	2.4955	2.5003	3.0551	2.3357		1.7554
H8	2.1595	1.0773	2.4955	3.0551	2.5003	2.3357	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.418	C1	C2	H7	111.886
C1	C2	H8	111.886	C2	C1	H3	109.226
C2	C1	H4	110.978	C2	C1	H5	110.978
H3	C1	H4	108.522	H3	C1	H5	108.522
H4	C1	H5	108.547	Cl6	C2	H7	106.101
Cl6	C2	H8	106.101	H7	C2	H8	109.125

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

using model chemistry: HF/Def2TZVPP

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	-0.154
2	C	0.027
3	H	0.052
4	H	0.064
5	H	0.064
6	Cl	-0.202
7	H	0.074
8	H	0.074

	x	y	z	Total
	1.220	1.957	0.000	2.306
CHELPG
AIM
ESP

	x	y	z
x	5.604	0.901	0.000
y	0.901	5.871	0.000
z	0.000	0.000	4.526

<r²>	78.855
(<r²>)^1/2	8.880

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

using model chemistry: HF/Def2TZVPP

States and conformations

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