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	hartrees
Energy at 0K	-539.387728
Energy at 298.15K	-539.393182
Nuclear repulsion energy	102.520497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3001	32.02
2	A'	3094	2978	13.20
3	A'	3044	2930	19.10
4	A'	1513	1457	4.17
5	A'	1500	1444	1.32
6	A'	1424	1371	9.26
7	A'	1338	1289	41.23
8	A'	1101	1060	1.08
9	A'	994	957	23.49
10	A'	673	648	31.24
11	A'	332	319	2.91
12	A"	3159	3041	25.30
13	A"	3129	3012	4.41
14	A"	1497	1441	10.24
15	A"	1289	1241	1.82
16	A"	1094	1053	0.16
17	A"	794	764	5.23
18	A"	269	259	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.504	0.670	0.000
C2	0.000	0.814	0.000
H3	1.967	1.663	0.000
H4	1.851	0.134	0.885
H5	1.851	0.134	-0.885
Cl6	-0.822	-0.795	0.000
H7	-0.361	1.337	0.886
H8	-0.361	1.337	-0.886

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5105	1.0956	1.0922	1.0922	2.7485	2.1691	2.1691
C2	1.5105		2.1420	2.1621	2.1621	1.8068	1.0900	1.0900
H3	1.0956	2.1420		1.7713	1.7713	3.7172	2.5115	2.5115
H4	1.0922	2.1621	1.7713		1.7706	2.9649	2.5182	3.0787
H5	1.0922	2.1621	1.7713	1.7706		2.9649	3.0787	2.5182
Cl6	2.7485	1.8068	3.7172	2.9649	2.9649		2.3541	2.3541
H7	2.1691	1.0900	2.5115	2.5182	3.0787	2.3541		1.7720
H8	2.1691	1.0900	2.5115	3.0787	2.5182	2.3541	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.588	C1	C2	H7	112.030
C1	C2	H8	112.030	C2	C1	H3	109.530
C2	C1	H4	111.329	C2	C1	H5	111.329
H3	C1	H4	108.122	H3	C1	H5	108.122
H4	C1	H5	108.299	Cl6	C2	H7	106.047
Cl6	C2	H8	106.047	H7	C2	H8	108.743

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

using model chemistry: B3PW91/6-311G*

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	-0.643
2	C	-0.507
3	H	0.229
4	H	0.244
5	H	0.244
6	Cl	-0.103
7	H	0.268
8	H	0.268

	x	y	z	Total
	1.242	1.944	0.000	2.307
CHELPG
AIM
ESP

<r²>	79.524
(<r²>)^1/2	8.918

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

using model chemistry: B3PW91/6-311G*

States and conformations

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