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	hartrees
Energy at 0K	-539.417381
Energy at 298.15K	-539.422822
Nuclear repulsion energy	102.757609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3012	19.01
2	A'	3115	2974	14.92
3	A'	3071	2932	14.39
4	A'	1509	1441	2.91
5	A'	1499	1431	1.17
6	A'	1419	1354	6.85
7	A'	1326	1266	39.04
8	A'	1100	1050	0.97
9	A'	995	950	21.62
10	A'	683	652	28.69
11	A'	329	315	3.14
12	A"	3187	3043	20.20
13	A"	3164	3021	0.85
14	A"	1491	1424	7.60
15	A"	1279	1221	0.59
16	A"	1084	1035	0.00
17	A"	789	753	4.17
18	A"	265	253	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.503	0.663	0.000
C2	0.000	0.812	0.000
H3	1.966	1.654	0.000
H4	1.845	0.125	0.885
H5	1.845	0.125	-0.885
Cl6	-0.821	-0.790	0.000
H7	-0.357	1.337	0.885
H8	-0.357	1.337	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5104	1.0937	1.0910	1.0910	2.7412	2.1674	2.1674
C2	1.5104		2.1391	2.1584	2.1584	1.7997	1.0898	1.0898
H3	1.0937	2.1391		1.7713	1.7713	3.7072	2.5062	2.5062
H4	1.0910	2.1584	1.7713		1.7699	2.9543	2.5136	3.0745
H5	1.0910	2.1584	1.7713	1.7699		2.9543	3.0745	2.5136
Cl6	2.7412	1.7997	3.7072	2.9543	2.9543		2.3502	2.3502
H7	2.1674	1.0898	2.5062	2.5136	3.0745	2.3502		1.7707
H8	2.1674	1.0898	2.5062	3.0745	2.5136	2.3502	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.523	C1	C2	H7	111.920
C1	C2	H8	111.920	C2	C1	H3	109.416
C2	C1	H4	111.116	C2	C1	H5	111.116
H3	C1	H4	108.344	H3	C1	H5	108.344
H4	C1	H5	108.421	Cl6	C2	H7	106.241
Cl6	C2	H8	106.241	H7	C2	H8	108.671

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	-0.360
2	C	-0.330
3	H	0.134
4	H	0.148
5	H	0.148
6	Cl	-0.088
7	H	0.174
8	H	0.174

	x	y	z	Total
	1.187	1.875	0.000	2.219
CHELPG
AIM
ESP

	x	y	z
x	4.900	0.953	0.000
y	0.953	5.281	0.000
z	0.000	0.000	3.871

<r²>	78.821
(<r²>)^1/2	8.878

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)