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	hartrees
Energy at 0K	-93.326798
Energy at 298.15K	-93.332326
Nuclear repulsion energy	63.275308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	2992	49.92
2	A'	3294	2964	20.00
3	A'	3210	2888	33.68
4	A'	1649	1484	6.57
5	A'	1641	1477	2.96
6	A'	1578	1420	8.06
7	A'	1451	1306	56.15
8	A'	1193	1073	3.12
9	A'	1070	963	22.08
10	A'	632	569	57.46
11	A'	346	312	5.79
12	A"	3405	3064	27.95
13	A"	3322	2989	26.94
14	A"	1633	1469	10.14
15	A"	1389	1250	1.39
16	A"	1177	1059	0.39
17	A"	872	785	4.42
18	A"	273	246	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	-0.350	0.000
C2	0.000	0.617	0.000
H3	2.102	0.213	0.000
H4	1.157	-0.982	0.878
H5	1.157	-0.982	-0.878
Cl6	-1.625	-0.329	0.000
H7	-0.040	1.229	0.883
H8	-0.040	1.229	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5207	1.0858	1.0816	1.0816	2.7980	2.1785	2.1785
C2	1.5207		2.1401	2.1604	2.1604	1.8805	1.0752	1.0752
H3	1.0858	2.1401		1.7579	1.7579	3.7656	2.5297	2.5297
H4	1.0816	2.1604	1.7579		1.7554	2.9892	2.5143	3.0697
H5	1.0816	2.1604	1.7579	1.7554		2.9892	3.0697	2.5143
Cl6	2.7980	1.8805	3.7656	2.9892	2.9892		2.3918	2.3918
H7	2.1785	1.0752	2.5297	2.5143	3.0697	2.3918		1.7669
H8	2.1785	1.0752	2.5297	3.0697	2.5143	2.3918	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.258	C1	C2	H7	112.993
C1	C2	H8	112.993	C2	C1	H3	109.252
C2	C1	H4	111.115	C2	C1	H5	111.115
H3	C1	H4	108.401	H3	C1	H5	108.401
H4	C1	H5	108.477	Cl6	C2	H7	104.727
Cl6	C2	H8	104.727	H7	C2	H8	110.495

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

using model chemistry: HF/LANL2DZ

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	-0.487
2	C	-0.365
3	H	0.176
4	H	0.199
5	H	0.199
6	Cl	-0.173
7	H	0.225
8	H	0.225

	x	y	z	Total
	2.861	1.359	0.000	3.167
CHELPG
AIM
ESP

	x	y	z
x	5.488	0.997	0.000
y	0.997	3.665	0.000
z	0.000	0.000	3.038

<r²>	62.480
(<r²>)^1/2	7.904

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

using model chemistry: HF/LANL2DZ

States and conformations

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