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	hartrees
Energy at 0K	-28.523687
Energy at 298.15K	-28.529197
Nuclear repulsion energy	42.172628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	2992	77.93
2	A'	3300	2974	18.22
3	A'	3219	2901	43.82
4	A'	1635	1474	5.22
5	A'	1628	1467	2.00
6	A'	1565	1411	5.23
7	A'	1443	1301	71.40
8	A'	1185	1068	2.54
9	A'	1065	960	22.14
10	A'	645	581	64.24
11	A'	342	308	5.23
12	A"	3404	3068	43.26
13	A"	3327	2999	38.21
14	A"	1618	1459	8.68
15	A"	1376	1240	1.70
16	A"	1169	1054	0.04
17	A"	861	776	4.42
18	A"	261	235	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.336	-0.097	0.000
C2	0.000	0.655	0.000
H3	2.152	0.629	0.000
H4	1.432	-0.724	0.883
H5	1.432	-0.724	-0.883
Cl6	-1.438	-0.560	0.000
H7	-0.145	1.255	0.888
H8	-0.145	1.255	-0.888

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5325	1.0920	1.0876	1.0876	2.8122	2.1926	2.1926
C2	1.5325		2.1518	2.1752	2.1752	1.8829	1.0817	1.0817
H3	1.0920	2.1518		1.7689	1.7689	3.7817	2.5407	2.5407
H4	1.0876	2.1752	1.7689		1.7659	3.0072	2.5304	3.0888
H5	1.0876	2.1752	1.7689	1.7659		3.0072	3.0888	2.5304
Cl6	2.8122	1.8829	3.7817	3.0072	3.0072		2.3993	2.3993
H7	2.1926	1.0817	2.5407	2.5304	3.0888	2.3993		1.7767
H8	2.1926	1.0817	2.5407	3.0888	2.5304	2.3993	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.437	C1	C2	H7	112.877
C1	C2	H8	112.877	C2	C1	H3	108.997
C2	C1	H4	111.107	C2	C1	H5	111.107
H3	C1	H4	108.503	H3	C1	H5	108.503
H4	C1	H5	108.553	Cl6	C2	H7	104.811
Cl6	C2	H8	104.811	H7	C2	H8	110.416

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

using model chemistry: HF/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	-0.244
2	C	-0.277
3	H	0.112
4	H	0.131
5	H	0.131
6	Cl	-0.177
7	H	0.162
8	H	0.162

	x	y	z	Total
	2.653	1.859	0.000	3.240
CHELPG
AIM
ESP

	x	y	z
x	5.438	1.342	0.000
y	1.342	4.208	0.000
z	0.000	0.000	2.925

<r²>	58.819
(<r²>)^1/2	7.669

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

using model chemistry: HF/CEP-31G

States and conformations

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