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	hartrees
Energy at 0K	-539.395060
Energy at 298.15K	-539.400437
Nuclear repulsion energy	99.950940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3016	50.31
2	A'	3123	3002	3.55
3	A'	3045	2927	21.77
4	A'	1524	1465	8.57
5	A'	1506	1448	2.65
6	A'	1445	1390	15.44
7	A'	1324	1273	35.02
8	A'	1103	1060	2.51
9	A'	1000	961	27.47
10	A'	599	576	28.92
11	A'	320	307	4.70
12	A"	3211	3086	32.04
13	A"	3159	3036	14.00
14	A"	1504	1446	13.55
15	A"	1274	1224	1.77
16	A"	1069	1028	0.41
17	A"	806	775	8.80
18	A"	257	247	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.518	0.722	0.000
C2	0.000	0.867	0.000
H3	1.981	1.720	0.000
H4	1.864	0.183	0.889
H5	1.864	0.183	-0.889
Cl6	-0.827	-0.844	0.000
H7	-0.381	1.360	0.896
H8	-0.381	1.360	-0.896

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5250	1.1001	1.0953	1.0953	2.8197	2.1944	2.1944
C2	1.5250		2.1570	2.1753	2.1753	1.9006	1.0914	1.0914
H3	1.1001	2.1570		1.7788	1.7788	3.8025	2.5518	2.5518
H4	1.0953	2.1753	1.7788		1.7774	3.0141	2.5343	3.0998
H5	1.0953	2.1753	1.7788	1.7774		3.0141	3.0998	2.5343
Cl6	2.8197	1.9006	3.8025	3.0141	3.0141		2.4209	2.4209
H7	2.1944	1.0914	2.5518	2.5343	3.0998	2.4209		1.7926
H8	2.1944	1.0914	2.5518	3.0998	2.5343	2.4209	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.318	C1	C2	H7	112.964
C1	C2	H8	112.964	C2	C1	H3	109.445
C2	C1	H4	111.172	C2	C1	H5	111.172
H3	C1	H4	108.246	H3	C1	H5	108.246
H4	C1	H5	108.467	Cl6	C2	H7	104.769
Cl6	C2	H8	104.769	H7	C2	H8	110.423

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

using model chemistry: B3LYP/SDD

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	-0.558
2	C	-0.465
3	H	0.198
4	H	0.222
5	H	0.222
6	Cl	-0.106
7	H	0.243
8	H	0.243

	x	y	z	Total
	1.361	2.251	0.000	2.630
CHELPG
AIM
ESP

	x	y	z
x	4.435	1.195	0.000
y	1.195	5.296	0.000
z	0.000	0.000	3.311

<r²>	82.506
(<r²>)^1/2	9.083

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

using model chemistry: B3LYP/SDD

States and conformations

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