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	hartrees
Energy at 0K	-29.237988
Energy at 298.15K	-29.243359
Nuclear repulsion energy	42.217886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3120	3013	50.61
2	A'	3100	2994	15.18
3	A'	3047	2943	28.71
4	A'	1500	1449	3.35
5	A'	1488	1437	0.72
6	A'	1408	1360	5.32
7	A'	1308	1263	49.42
8	A'	1081	1044	1.59
9	A'	969	936	22.79
10	A'	649	627	32.73
11	A'	319	308	3.28
12	A"	3170	3061	45.20
13	A"	3136	3029	8.80
14	A"	1482	1431	8.53
15	A"	1255	1212	1.53
16	A"	1062	1026	0.01
17	A"	773	747	5.89
18	A"	257	249	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.326	-0.139	0.000
C2	0.000	0.640	0.000
H3	2.169	0.579	0.000
H4	1.409	-0.777	0.896
H5	1.409	-0.777	-0.896
Cl6	-1.438	-0.508	0.000
H7	-0.114	1.265	0.897
H8	-0.114	1.265	-0.897

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5381	1.1067	1.1024	1.1024	2.7887	2.2024	2.2024
C2	1.5381		2.1694	2.1893	2.1893	1.8396	1.0994	1.0994
H3	1.1067	2.1694		1.7933	1.7933	3.7665	2.5466	2.5466
H4	1.1024	2.1893	1.7933		1.7913	2.9966	2.5470	3.1146
H5	1.1024	2.1893	1.7933	1.7913		2.9966	3.1146	2.5470
Cl6	2.7887	1.8396	3.7665	2.9966	2.9966		2.3875	2.3875
H7	2.2024	1.0994	2.5466	2.5470	3.1146	2.3875		1.7941
H8	2.2024	1.0994	2.5466	3.1146	2.5470	2.3875	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.985	C1	C2	H7	112.171
C1	C2	H8	112.171	C2	C1	H3	109.126
C2	C1	H4	110.946	C2	C1	H5	110.946
H3	C1	H4	108.540	H3	C1	H5	108.540
H4	C1	H5	108.678	Cl6	C2	H7	105.887
Cl6	C2	H8	105.887	H7	C2	H8	109.365

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

using model chemistry: B3LYP/CEP-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	-0.392
2	C	-0.287
3	H	0.151
4	H	0.169
5	H	0.169
6	Cl	-0.182
7	H	0.186
8	H	0.186

	x	y	z	Total
	2.024	1.287	0.000	2.399
CHELPG
AIM
ESP

<r²>	57.865
(<r²>)^1/2	7.607

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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