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	hartrees
Energy at 0K	-539.453278
Energy at 298.15K	-539.458746
Nuclear repulsion energy	102.763946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	2996	31.03
2	A'	3114	2972	14.23
3	A'	3064	2924	18.78
4	A'	1521	1451	4.13
5	A'	1508	1439	1.34
6	A'	1431	1365	9.56
7	A'	1347	1285	40.92
8	A'	1108	1057	1.02
9	A'	1001	955	23.08
10	A'	684	653	30.91
11	A'	334	319	2.83
12	A"	3180	3035	24.79
13	A"	3150	3006	4.57
14	A"	1505	1436	10.24
15	A"	1297	1237	1.79
16	A"	1101	1051	0.16
17	A"	797	760	5.05
18	A"	269	257	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.502	0.664	0.000
C2	0.000	0.813	0.000
H3	1.967	1.654	0.000
H4	1.846	0.126	0.884
H5	1.846	0.126	-0.884
Cl6	-0.821	-0.791	0.000
H7	-0.358	1.335	0.885
H8	-0.358	1.335	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5092	1.0936	1.0905	1.0905	2.7407	2.1660	2.1660
C2	1.5092		2.1395	2.1585	2.1585	1.8010	1.0884	1.0884
H3	1.0936	2.1395		1.7693	1.7693	3.7079	2.5079	2.5079
H4	1.0905	2.1585	1.7693		1.7681	2.9551	2.5134	3.0735
H5	1.0905	2.1585	1.7693	1.7681		2.9551	3.0735	2.5134
Cl6	2.7407	1.8010	3.7079	2.9551	2.9551		2.3489	2.3489
H7	2.1660	1.0884	2.5079	2.5134	3.0735	2.3489		1.7699
H8	2.1660	1.0884	2.5079	3.0735	2.5134	2.3489	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.479	C1	C2	H7	111.979
C1	C2	H8	111.979	C2	C1	H3	109.535
C2	C1	H4	111.233	C2	C1	H5	111.233
H3	C1	H4	108.207	H3	C1	H5	108.207
H4	C1	H5	108.325	Cl6	C2	H7	106.130
Cl6	C2	H8	106.130	H7	C2	H8	108.804

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

using model chemistry: mPW1PW91/6-311G*

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	-0.648
2	C	-0.510
3	H	0.230
4	H	0.245
5	H	0.245
6	Cl	-0.102
7	H	0.269
8	H	0.269

	x	y	z	Total
	1.235	1.936	0.000	2.297
CHELPG
AIM
ESP

<r²>	79.185
(<r²>)^1/2	8.899

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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