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	hartrees
Energy at 0K	-536.798038
Energy at 298.15K	-536.803433
Nuclear repulsion energy	99.881028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3030	17.32
2	A'	3119	3010	2.71
3	A'	3052	2945	9.77
4	A'	1565	1510	5.44
5	A'	1539	1485	3.56
6	A'	1469	1418	9.58
7	A'	1318	1272	42.30
8	A'	1099	1061	4.00
9	A'	982	947	23.34
10	A'	598	577	34.88
11	A'	323	311	4.62
12	A"	3208	3095	8.04
13	A"	3147	3037	6.60
14	A"	1550	1495	9.55
15	A"	1303	1257	1.20
16	A"	1071	1033	0.50
17	A"	812	784	6.04
18	A"	256	247	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.512	0.723	0.000
C2	0.000	0.883	0.000
H3	1.979	1.716	0.000
H4	1.843	0.180	0.889
H5	1.843	0.180	-0.889
Cl6	-0.822	-0.849	0.000
H7	-0.385	1.363	0.898
H8	-0.385	1.363	-0.898

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5200	1.0980	1.0930	1.0930	2.8132	2.1934	2.1934
C2	1.5200		2.1475	2.1638	2.1638	1.9170	1.0881	1.0881
H3	1.0980	2.1475		1.7797	1.7797	3.7980	2.5530	2.5530
H4	1.0930	2.1638	1.7797		1.7783	2.9921	2.5224	3.0910
H5	1.0930	2.1638	1.7797	1.7783		2.9921	3.0910	2.5224
Cl6	2.8132	1.9170	3.7980	2.9921	2.9921		2.4269	2.4269
H7	2.1934	1.0881	2.5530	2.5224	3.0910	2.4269		1.7951
H8	2.1934	1.0881	2.5530	3.0910	2.5224	2.4269	1.7951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.329	C1	C2	H7	113.453
C1	C2	H8	113.453	C2	C1	H3	109.158
C2	C1	H4	110.740	C2	C1	H5	110.740
H3	C1	H4	108.636	H3	C1	H5	108.636
H4	C1	H5	108.877	Cl6	C2	H7	104.312
Cl6	C2	H8	104.312	H7	C2	H8	111.142

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

using model chemistry: B3LYP/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	ESP
1	C	-0.558	-0.240
2	C	-0.515	-0.020
3	H	0.207	0.083
4	H	0.221	0.102
5	H	0.221	0.102
6	Cl	-0.083	-0.251
7	H	0.253	0.112
8	H	0.253	0.112

	x	y	z	Total
	1.443	2.377	0.000	2.781
CHELPG
AIM
ESP	1.429	2.434	0.000	2.822

	x	y	z
x	4.411	1.265	0.000
y	1.265	5.295	0.000
z	0.000	0.000	3.281

<r²>	82.658
(<r²>)^1/2	9.092

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

using model chemistry: B3LYP/3-21G

States and conformations

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