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	hartrees
Energy at 0K	-536.868223
Energy at 298.15K	-536.873695
HF Energy	-536.868223
Nuclear repulsion energy	102.023380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3005	15.30
2	A'	3145	2981	6.44
3	A'	3094	2932	9.41
4	A'	1570	1488	6.82
5	A'	1551	1470	7.18
6	A'	1480	1403	14.61
7	A'	1361	1290	26.55
8	A'	1118	1060	7.20
9	A'	997	945	18.43
10	A'	666	631	26.13
11	A'	348	330	2.94
12	A"	3213	3046	8.74
13	A"	3177	3011	4.08
14	A"	1557	1475	12.51
15	A"	1323	1254	0.96
16	A"	1117	1059	0.30
17	A"	827	784	7.70
18	A"	254	241	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.517	0.659	0.000
C2	0.000	0.823	0.000
H3	1.990	1.648	0.000
H4	1.846	0.113	0.889
H5	1.846	0.113	-0.889
Cl6	-0.829	-0.792	0.000
H7	-0.344	1.351	0.890
H8	-0.344	1.351	-0.890

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5258	1.0961	1.0934	1.0934	2.7590	2.1760	2.1760
C2	1.5258		2.1546	2.1677	2.1677	1.8155	1.0909	1.0909
H3	1.0961	2.1546		1.7792	1.7792	3.7289	2.5158	2.5158
H4	1.0934	2.1677	1.7792		1.7772	2.9604	2.5153	3.0807
H5	1.0934	2.1677	1.7792	1.7772		2.9604	3.0807	2.5153
Cl6	2.7590	1.8155	3.7289	2.9604	2.9604		2.3715	2.3715
H7	2.1760	1.0909	2.5158	2.5153	3.0807	2.3715		1.7802
H8	2.1760	1.0909	2.5158	3.0807	2.5153	2.3715	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.024	C1	C2	H7	111.433
C1	C2	H8	111.433	C2	C1	H3	109.429
C2	C1	H4	110.623	C2	C1	H5	110.623
H3	C1	H4	108.697	H3	C1	H5	108.697
H4	C1	H5	108.723	Cl6	C2	H7	106.688
Cl6	C2	H8	106.688	H7	C2	H8	109.354

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

using model chemistry: wB97X-D/3-21G*

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	-0.622
2	C	-0.524
3	H	0.224
4	H	0.236
5	H	0.236
6	Cl	-0.077
7	H	0.264
8	H	0.264

	x	y	z	Total
	1.257	1.974	0.000	2.341
CHELPG
AIM
ESP

	x	y	z
x	4.519	0.975	0.000
y	0.975	5.028	0.000
z	0.000	0.000	3.585

<r²>	79.724
(<r²>)^1/2	8.929

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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