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	hartrees
Energy at 0K	-29.213373
Energy at 298.15K	-29.218758
Nuclear repulsion energy	41.849621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3004	46.58
2	A'	3064	2986	9.45
3	A'	2992	2916	24.91
4	A'	1523	1484	5.84
5	A'	1499	1461	1.14
6	A'	1438	1401	9.84
7	A'	1317	1284	48.45
8	A'	1091	1063	1.27
9	A'	987	961	24.77
10	A'	601	585	36.65
11	A'	314	306	4.79
12	A"	3153	3072	32.64
13	A"	3105	3026	13.27
14	A"	1502	1464	10.82
15	A"	1269	1237	1.39
16	A"	1068	1041	0.00
17	A"	795	774	4.20
18	A"	252	246	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	-0.077	0.000
C2	0.000	0.659	0.000
H3	2.160	0.661	0.000
H4	1.450	-0.708	0.889
H5	1.450	-0.708	-0.889
Cl6	-1.446	-0.586	0.000
H7	-0.156	1.263	0.897
H8	-0.156	1.263	-0.897

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5322	1.1006	1.0954	1.0954	2.8359	2.2020	2.2020
C2	1.5322		2.1601	2.1820	2.1820	1.9080	1.0922	1.0922
H3	1.1006	2.1601		1.7803	1.7803	3.8157	2.5556	2.5556
H4	1.0954	2.1820	1.7803		1.7784	3.0318	2.5420	3.1067
H5	1.0954	2.1820	1.7803	1.7784		3.0318	3.1067	2.5420
Cl6	2.8359	1.9080	3.8157	3.0318	3.0318		2.4258	2.4258
H7	2.2020	1.0922	2.5556	2.5420	3.1067	2.4258		1.7936
H8	2.2020	1.0922	2.5556	3.1067	2.5420	2.4258	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.569	C1	C2	H7	113.007
C1	C2	H8	113.007	C2	C1	H3	109.166
C2	C1	H4	111.194	C2	C1	H5	111.194
H3	C1	H4	108.332	H3	C1	H5	108.332
H4	C1	H5	108.537	Cl6	C2	H7	104.607
Cl6	C2	H8	104.607	H7	C2	H8	110.385

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

using model chemistry: B3LYP/CEP-121G

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	-0.413
2	C	-0.414
3	H	0.155
4	H	0.172
5	H	0.172
6	Cl	-0.068
7	H	0.198
8	H	0.198

	x	y	z	Total
	2.219	1.612	0.000	2.742
CHELPG
AIM
ESP

	x	y	z
x	6.265	1.180	0.000
y	1.180	4.930	0.000
z	0.000	0.000	3.912

<r²>	59.344
(<r²>)^1/2	7.704

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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