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	hartrees
Energy at 0K	-539.153317
Energy at 298.15K	-539.158698
Nuclear repulsion energy	101.863315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3047	3019	23.20
2	A'	3017	2990	13.84
3	A'	2974	2947	15.10
4	A'	1452	1439	3.46
5	A'	1439	1426	0.93
6	A'	1364	1351	7.93
7	A'	1278	1266	38.13
8	A'	1064	1054	0.68
9	A'	959	950	24.92
10	A'	645	639	29.82
11	A'	322	319	3.25
12	A"	3083	3055	21.66
13	A"	3056	3028	1.68
14	A"	1434	1421	9.18
15	A"	1236	1225	1.54
16	A"	1046	1036	0.10
17	A"	768	761	5.15
18	A"	260	258	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.681	0.000
C2	0.000	0.821	0.000
H3	1.969	1.683	0.000
H4	1.861	0.142	0.892
H5	1.861	0.142	-0.892
Cl6	-0.824	-0.803	0.000
H7	-0.367	1.341	0.894
H8	-0.367	1.341	-0.894

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5165	1.1027	1.0993	1.0993	2.7662	2.1816	2.1816
C2	1.5165		2.1499	2.1721	2.1721	1.8214	1.0975	1.0975
H3	1.1027	2.1499		1.7839	1.7839	3.7400	2.5251	2.5251
H4	1.0993	2.1721	1.7839		1.7836	2.9830	2.5302	3.0968
H5	1.0993	2.1721	1.7839	1.7836		2.9830	3.0968	2.5302
Cl6	2.7662	1.8214	3.7400	2.9830	2.9830		2.3678	2.3678
H7	2.1816	1.0975	2.5251	2.5302	3.0968	2.3678		1.7875
H8	2.1816	1.0975	2.5251	3.0968	2.5302	2.3678	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.611	C1	C2	H7	112.152
C1	C2	H8	112.152	C2	C1	H3	109.318
C2	C1	H4	111.275	C2	C1	H5	111.275
H3	C1	H4	108.217	H3	C1	H5	108.217
H4	C1	H5	108.441	Cl6	C2	H7	105.744
Cl6	C2	H8	105.744	H7	C2	H8	109.043

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

using model chemistry: PBEPBE/6-311G**

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	-0.329
2	C	-0.349
3	H	0.131
4	H	0.147
5	H	0.147
6	Cl	-0.112
7	H	0.183
8	H	0.183

	x	y	z	Total
	1.221	1.905	0.000	2.263
CHELPG
AIM
ESP

	x	y	z
x	5.536	1.164	0.000
y	1.164	5.894	0.000
z	0.000	0.000	4.093

<r²>	80.428
(<r²>)^1/2	8.968

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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