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	hartrees
Energy at 0K	-28.576306
Energy at 298.15K	-28.581863
Nuclear repulsion energy	42.692730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	2970	89.46
2	A'	3292	2957	8.91
3	A'	3226	2897	41.97
4	A'	1629	1463	1.39
5	A'	1623	1457	1.11
6	A'	1547	1389	2.89
7	A'	1444	1297	68.48
8	A'	1173	1053	1.15
9	A'	1051	944	18.59
10	A'	722	649	50.78
11	A'	349	314	3.15
12	A"	3372	3028	48.95
13	A"	3315	2977	28.59
14	A"	1611	1447	5.09
15	A"	1375	1234	0.78
16	A"	1171	1051	0.00
17	A"	836	751	1.72
18	A"	277	249	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	-0.155	0.000
C2	0.000	0.632	0.000
H3	2.151	0.548	0.000
H4	1.389	-0.786	0.886
H5	1.389	-0.786	-0.886
Cl6	-1.426	-0.483	0.000
H7	-0.100	1.251	0.885
H8	-0.100	1.251	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5313	1.0933	1.0898	1.0898	2.7595	2.1815	2.1815
C2	1.5313		2.1521	2.1731	2.1731	1.8104	1.0849	1.0849
H3	1.0933	2.1521		1.7734	1.7734	3.7226	2.5180	2.5180
H4	1.0898	2.1731	1.7734		1.7710	2.9664	2.5231	3.0822
H5	1.0898	2.1731	1.7734	1.7710		2.9664	3.0822	2.5231
Cl6	2.7595	1.8104	3.7226	2.9664	2.9664		2.3563	2.3563
H7	2.1815	1.0849	2.5180	2.5231	3.0822	2.3563		1.7697
H8	2.1815	1.0849	2.5180	3.0822	2.5231	2.3563	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.059	C1	C2	H7	111.860
C1	C2	H8	111.860	C2	C1	H3	109.022
C2	C1	H4	110.884	C2	C1	H5	110.884
H3	C1	H4	108.650	H3	C1	H5	108.650
H4	C1	H5	108.695	Cl6	C2	H7	106.227
Cl6	C2	H8	106.227	H7	C2	H8	109.303

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	-0.285
2	C	-0.151
3	H	0.113
4	H	0.128
5	H	0.128
6	Cl	-0.225
7	H	0.145
8	H	0.145

	x	y	z	Total
	2.128	1.368	0.000	2.530
CHELPG
AIM
ESP

	x	y	z
x	5.480	0.881	0.000
y	0.881	4.299	0.000
z	0.000	0.000	3.398

<r²>	57.187
(<r²>)^1/2	7.562

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)