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	hartrees
Energy at 0K	-539.111857
Energy at 298.15K	-539.117235
Nuclear repulsion energy	101.757634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3026	19.43
2	A'	3024	2989	15.42
3	A'	2982	2948	16.65
4	A'	1457	1441	4.22
5	A'	1446	1429	1.43
6	A'	1368	1352	10.22
7	A'	1281	1267	41.32
8	A'	1064	1052	0.70
9	A'	960	949	24.72
10	A'	649	642	29.40
11	A'	324	320	3.26
12	A"	3094	3059	18.62
13	A"	3070	3035	0.85
14	A"	1440	1423	10.64
15	A"	1235	1221	1.01
16	A"	1048	1036	0.00
17	A"	769	760	4.00
18	A"	261	258	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.679	0.000
C2	0.000	0.819	0.000
H3	1.972	1.684	0.000
H4	1.865	0.139	0.893
H5	1.865	0.139	-0.893
Cl6	-0.827	-0.803	0.000
H7	-0.364	1.346	0.895
H8	-0.364	1.346	-0.895

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5198	1.1045	1.1013	1.1013	2.7695	2.1839	2.1839
C2	1.5198		2.1532	2.1766	2.1766	1.8203	1.1002	1.1002
H3	1.1045	2.1532		1.7874	1.7874	3.7436	2.5243	2.5243
H4	1.1013	2.1766	1.7874		1.7866	2.9880	2.5345	3.1017
H5	1.1013	2.1766	1.7874	1.7866		2.9880	3.1017	2.5345
Cl6	2.7695	1.8203	3.7436	2.9880	2.9880		2.3729	2.3729
H7	2.1839	1.1002	2.5243	2.5345	3.1017	2.3729		1.7893
H8	2.1839	1.1002	2.5243	3.1017	2.5345	2.3729	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.712	C1	C2	H7	111.943
C1	C2	H8	111.943	C2	C1	H3	109.250
C2	C1	H4	111.285	C2	C1	H5	111.285
H3	C1	H4	108.256	H3	C1	H5	108.256
H4	C1	H5	108.412	Cl6	C2	H7	106.040
Cl6	C2	H8	106.040	H7	C2	H8	108.815

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

using model chemistry: PBEPBE/6-31+G**

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	-0.531
2	C	-0.422
3	H	0.178
4	H	0.191
5	H	0.191
6	Cl	-0.035
7	H	0.214
8	H	0.214

	x	y	z	Total
	1.209	1.929	0.000	2.277
CHELPG
AIM
ESP

	x	y	z
x	5.937	0.944	0.000
y	0.944	6.103	0.000
z	0.000	0.000	4.685

<r²>	80.560
(<r²>)^1/2	8.976

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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