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	hartrees
Energy at 0K	-539.433050
Energy at 298.15K	-539.438484
Nuclear repulsion energy	101.954505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3000	25.32
2	A'	3097	2976	11.85
3	A'	3048	2929	16.01
4	A'	1517	1457	2.34
5	A'	1505	1446	1.03
6	A'	1428	1372	4.28
7	A'	1329	1277	44.76
8	A'	1093	1051	1.23
9	A'	985	947	20.26
10	A'	658	632	31.98
11	A'	332	319	3.40
12	A"	3164	3040	22.09
13	A"	3137	3014	3.31
14	A"	1499	1440	6.46
15	A"	1282	1231	0.52
16	A"	1084	1042	0.00
17	A"	794	762	3.57
18	A"	266	256	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.681	0.000
C2	0.000	0.821	0.000
H3	1.967	1.679	0.000
H4	1.859	0.145	0.887
H5	1.859	0.145	-0.887
Cl6	-0.825	-0.803	0.000
H7	-0.363	1.341	0.888
H8	-0.363	1.341	-0.888

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5178	1.0966	1.0931	1.0931	2.7681	2.1763	2.1763
C2	1.5178		2.1456	2.1676	2.1676	1.8216	1.0912	1.0912
H3	1.0966	2.1456		1.7751	1.7751	3.7355	2.5155	2.5155
H4	1.0931	2.1676	1.7751		1.7737	2.9814	2.5234	3.0848
H5	1.0931	2.1676	1.7751	1.7737		2.9814	3.0848	2.5234
Cl6	2.7681	1.8216	3.7355	2.9814	2.9814		2.3668	2.3668
H7	2.1763	1.0912	2.5155	2.5234	3.0848	2.3668		1.7752
H8	2.1763	1.0912	2.5155	3.0848	2.5234	2.3668	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.657	C1	C2	H7	112.022
C1	C2	H8	112.022	C2	C1	H3	109.251
C2	C1	H4	111.202	C2	C1	H5	111.202
H3	C1	H4	108.323	H3	C1	H5	108.323
H4	C1	H5	108.452	Cl6	C2	H7	105.956
Cl6	C2	H8	105.956	H7	C2	H8	108.863

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

using model chemistry: B3LYP/6-31G**

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	-0.311
2	C	-0.275
3	H	0.116
4	H	0.132
5	H	0.132
6	Cl	-0.105
7	H	0.156
8	H	0.156

	x	y	z	Total
	1.203	1.920	0.000	2.266
CHELPG
AIM
ESP

	x	y	z
x	4.920	1.001	0.000
y	1.001	5.352	0.000
z	0.000	0.000	3.873

<r²>	80.023
(<r²>)^1/2	8.946

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

using model chemistry: B3LYP/6-31G**

States and conformations

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