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	hartrees
Energy at 0K	-538.589527
Energy at 298.15K	-538.595058
HF Energy	-538.140383
Nuclear repulsion energy	103.143945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3028	18.17
2	A'	3174	2981	18.11
3	A'	3128	2938	15.68
4	A'	1548	1454	2.67
5	A'	1537	1443	2.18
6	A'	1465	1376	8.21
7	A'	1385	1301	42.13
8	A'	1128	1059	0.38
9	A'	1026	964	16.40
10	A'	721	677	22.60
11	A'	343	323	2.06
12	A"	3253	3055	19.25
13	A"	3232	3036	0.71
14	A"	1532	1439	8.32
15	A"	1315	1235	0.62
16	A"	1125	1057	0.12
17	A"	810	761	1.97
18	A"	281	264	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.504	0.649	0.000
C2	0.000	0.807	0.000
H3	1.972	1.633	0.000
H4	1.838	0.108	0.882
H5	1.838	0.108	-0.882
Cl6	-0.823	-0.780	0.000
H7	-0.342	1.339	0.883
H8	-0.342	1.339	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5125	1.0898	1.0872	1.0872	2.7309	2.1597	2.1597
C2	1.5125		2.1378	2.1548	2.1548	1.7876	1.0862	1.0862
H3	1.0898	2.1378		1.7671	1.7671	3.6925	2.4937	2.4937
H4	1.0872	2.1548	1.7671		1.7647	2.9404	2.5032	3.0630
H5	1.0872	2.1548	1.7671	1.7647		2.9404	3.0630	2.5032
Cl6	2.7309	1.7876	3.6925	2.9404	2.9404		2.3458	2.3458
H7	2.1597	1.0862	2.4937	2.5032	3.0630	2.3458		1.7656
H8	2.1597	1.0862	2.4937	3.0630	2.5032	2.3458	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.415	C1	C2	H7	111.366
C1	C2	H8	111.366	C2	C1	H3	109.402
C2	C1	H4	110.908	C2	C1	H5	110.908
H3	C1	H4	108.529	H3	C1	H5	108.529
H4	C1	H5	108.498	Cl6	C2	H7	106.872
Cl6	C2	H8	106.872	H7	C2	H8	108.731

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

using model chemistry: MP2=FULL/6-31+G**

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

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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