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	hartrees
Energy at 0K	-536.553936
Energy at 298.15K	-536.559372
HF Energy	-536.553936
Nuclear repulsion energy	100.610114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3043	16.86
2	A'	3144	3029	0.07
3	A'	3074	2961	8.01
4	A'	1561	1504	6.79
5	A'	1535	1479	5.25
6	A'	1468	1414	15.09
7	A'	1326	1278	35.97
8	A'	1111	1070	4.17
9	A'	1003	966	26.42
10	A'	624	601	32.86
11	A'	331	318	4.36
12	A"	3227	3109	5.82
13	A"	3172	3056	4.56
14	A"	1547	1490	11.93
15	A"	1308	1260	1.46
16	A"	1082	1042	0.71
17	A"	815	785	7.58
18	A"	262	253	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.504	0.704	0.000
C2	0.000	0.873	0.000
H3	1.981	1.693	0.000
H4	1.831	0.158	0.889
H5	1.831	0.158	-0.889
Cl6	-0.818	-0.835	0.000
H7	-0.378	1.361	0.897
H8	-0.378	1.361	-0.897

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5135	1.0977	1.0934	1.0934	2.7856	2.1864	2.1864
C2	1.5135		2.1437	2.1576	2.1576	1.8932	1.0893	1.0893
H3	1.0977	2.1437		1.7799	1.7799	3.7710	2.5458	2.5458
H4	1.0934	2.1576	1.7799		1.7781	2.9658	2.5159	3.0857
H5	1.0934	2.1576	1.7799	1.7781		2.9658	3.0857	2.5159
Cl6	2.7856	1.8932	3.7710	2.9658	2.9658		2.4119	2.4119
H7	2.1864	1.0893	2.5458	2.5159	3.0857	2.4119		1.7948
H8	2.1864	1.0893	2.5458	3.0857	2.5159	2.4119	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.200	C1	C2	H7	113.280
C1	C2	H8	113.280	C2	C1	H3	109.329
C2	C1	H4	110.684	C2	C1	H5	110.684
H3	C1	H4	108.648	H3	C1	H5	108.648
H4	C1	H5	108.797	Cl6	C2	H7	104.697
Cl6	C2	H8	104.697	H7	C2	H8	110.943

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

using model chemistry: HSEh1PBE/3-21G

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	-0.629
2	C	-0.590
3	H	0.232
4	H	0.246
5	H	0.246
6	Cl	-0.061
7	H	0.278
8	H	0.278

	x	y	z	Total
	1.435	2.338	0.000	2.743
CHELPG
AIM
ESP

	x	y	z
x	4.380	1.208	0.000
y	1.208	5.205	0.000
z	0.000	0.000	3.280

<r²>	81.528
(<r²>)^1/2	9.029

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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