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	hartrees
Energy at 0K	-539.225696
Energy at 298.15K	-539.220678
HF Energy	-539.436312
Nuclear repulsion energy	102.153442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3113	3004	22.96
2	A'	3087	2979	9.96
3	A'	3040	2934	15.62
4	A'	1501	1449	1.72
5	A'	1488	1436	0.87
6	A'	1412	1363	2.75
7	A'	1313	1267	42.02
8	A'	1086	1048	0.76
9	A'	980	946	19.56
10	A'	661	638	29.92
11	A'	329	318	3.00
12	A"	3153	3042	18.06
13	A"	3125	3016	2.85
14	A"	1484	1432	5.97
15	A"	1271	1227	0.36
16	A"	1072	1035	0.00
17	A"	787	759	2.88
18	A"	257	248	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.674	0.000
C2	0.000	0.819	0.000
H3	1.971	1.668	0.000
H4	1.854	0.135	0.886
H5	1.854	0.135	-0.886
Cl6	-0.825	-0.798	0.000
H7	-0.363	1.339	0.888
H8	-0.363	1.339	-0.888

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5177	1.0962	1.0928	1.0928	2.7605	2.1772	2.1772
C2	1.5177		2.1463	2.1662	2.1662	1.8157	1.0906	1.0906
H3	1.0962	2.1463		1.7752	1.7752	3.7285	2.5186	2.5186
H4	1.0928	2.1662	1.7752		1.7730	2.9720	2.5229	3.0842
H5	1.0928	2.1662	1.7752	1.7730		2.9720	3.0842	2.5229
Cl6	2.7605	1.8157	3.7285	2.9720	2.9720		2.3600	2.3600
H7	2.1772	1.0906	2.5186	2.5229	3.0842	2.3600		1.7751
H8	2.1772	1.0906	2.5186	3.0842	2.5229	2.3600	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.650	C1	C2	H7	111.873
C1	C2	H8	111.873	C2	C1	H3	109.359
C2	C1	H4	111.049	C2	C1	H5	111.049
H3	C1	H4	108.424	H3	C1	H5	108.424
H4	C1	H5	108.459	Cl6	C2	H7	106.113
Cl6	C2	H8	106.113	H7	C2	H8	108.887

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

using model chemistry: G4

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	-0.359
2	C	-0.154
3	H	0.125
4	H	0.140
5	H	0.140
6	Cl	-0.191
7	H	0.150
8	H	0.150

	x	y	z	Total
	1.178	1.856	0.000	2.198
CHELPG
AIM
ESP

<r²>	79.656
(<r²>)^1/2	8.925

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

using model chemistry: G4

States and conformations

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