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	hartrees
Energy at 0K	-29.206356
Energy at 298.15K	-29.211700
Nuclear repulsion energy	41.666017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3028	63.06
2	A'	3109	3011	10.36
3	A'	3039	2943	31.37
4	A'	1512	1464	7.03
5	A'	1493	1446	1.47
6	A'	1430	1385	9.69
7	A'	1311	1270	47.37
8	A'	1092	1057	2.24
9	A'	987	955	27.50
10	A'	598	579	35.64
11	A'	312	303	4.59
12	A"	3198	3097	48.82
13	A"	3149	3049	18.96
14	A"	1490	1443	11.37
15	A"	1258	1218	2.38
16	A"	1057	1024	0.02
17	A"	794	769	9.12
18	A"	248	240	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.348	-0.082	0.000
C2	0.000	0.663	0.000
H3	2.171	0.660	0.000
H4	1.452	-0.716	0.895
H5	1.452	-0.716	-0.895
Cl6	-1.451	-0.585	0.000
H7	-0.157	1.269	0.902
H8	-0.157	1.269	-0.902

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5404	1.1074	1.1020	1.1020	2.8438	2.2149	2.2149
C2	1.5404		2.1711	2.1935	2.1935	1.9133	1.0984	1.0984
H3	1.1074	2.1711		1.7920	1.7920	3.8295	2.5703	2.5703
H4	1.1020	2.1935	1.7920		1.7900	3.0401	2.5556	3.1244
H5	1.1020	2.1935	1.7920	1.7900		3.0401	3.1244	2.5556
Cl6	2.8438	1.9133	3.8295	3.0401	3.0401		2.4341	2.4341
H7	2.2149	1.0984	2.5703	2.5556	3.1244	2.4341		1.8048
H8	2.2149	1.0984	2.5703	3.1244	2.5556	2.4341	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.386	C1	C2	H7	113.075
C1	C2	H8	113.075	C2	C1	H3	109.069
C2	C1	H4	111.138	C2	C1	H5	111.138
H3	C1	H4	108.400	H3	C1	H5	108.400
H4	C1	H5	108.616	Cl6	C2	H7	104.573
Cl6	C2	H8	104.573	H7	C2	H8	110.478

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	-0.345
2	C	-0.397
3	H	0.146
4	H	0.168
5	H	0.168
6	Cl	-0.133
7	H	0.197
8	H	0.197

	x	y	z	Total
	2.386	1.652	0.000	2.902
CHELPG
AIM
ESP

	x	y	z
x	5.765	1.297	0.000
y	1.297	4.395	0.000
z	0.000	0.000	3.064

<r²>	59.494
(<r²>)^1/2	7.713

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)