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	hartrees
Energy at 0K	-539.411677
Energy at 298.15K	-539.417129
Nuclear repulsion energy	102.856780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3006	20.76
2	A'	3132	2973	14.35
3	A'	3086	2930	14.97
4	A'	1530	1453	3.16
5	A'	1520	1443	1.35
6	A'	1439	1366	7.33
7	A'	1345	1277	40.38
8	A'	1110	1054	1.03
9	A'	1005	954	21.17
10	A'	690	655	29.01
11	A'	331	314	3.04
12	A"	3201	3039	20.53
13	A"	3177	3016	1.41
14	A"	1514	1437	8.10
15	A"	1294	1229	0.62
16	A"	1099	1043	0.00
17	A"	796	756	4.18
18	A"	267	254	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.502	0.660	0.000
C2	0.000	0.811	0.000
H3	1.968	1.649	0.000
H4	1.843	0.120	0.885
H5	1.843	0.120	-0.885
Cl6	-0.821	-0.787	0.000
H7	-0.355	1.338	0.885
H8	-0.355	1.338	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5100	1.0939	1.0912	1.0912	2.7373	2.1661	2.1661
C2	1.5100		2.1393	2.1579	2.1579	1.7966	1.0895	1.0895
H3	1.0939	2.1393		1.7718	1.7718	3.7037	2.5048	2.5048
H4	1.0912	2.1579	1.7718		1.7702	2.9500	2.5125	3.0734
H5	1.0912	2.1579	1.7718	1.7702		2.9500	3.0734	2.5125
Cl6	2.7373	1.7966	3.7037	2.9500	2.9500		2.3492	2.3492
H7	2.1661	1.0895	2.5048	2.5125	3.0734	2.3492		1.7700
H8	2.1661	1.0895	2.5048	3.0734	2.5125	2.3492	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.453	C1	C2	H7	111.851
C1	C2	H8	111.851	C2	C1	H3	109.442
C2	C1	H4	111.087	C2	C1	H5	111.087
H3	C1	H4	108.363	H3	C1	H5	108.363
H4	C1	H5	108.416	Cl6	C2	H7	106.372
Cl6	C2	H8	106.372	H7	C2	H8	108.635

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

using model chemistry: B1B95/6-31G*

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	-0.488
2	C	-0.406
3	H	0.175
4	H	0.189
5	H	0.189
6	Cl	-0.085
7	H	0.213
8	H	0.213

	x	y	z	Total
	1.184	1.879	0.000	2.221
CHELPG
AIM
ESP

	x	y	z
x	4.812	0.943	0.000
y	0.943	5.209	0.000
z	0.000	0.000	3.815

<r²>	78.684
(<r²>)^1/2	8.870

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

using model chemistry: B1B95/6-31G*

States and conformations

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