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	hartrees
Energy at 0K	-538.627918
Energy at 298.15K	-538.633415
Nuclear repulsion energy	102.230094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3025	20.77
2	A'	3117	2982	18.84
3	A'	3074	2941	16.88
4	A'	1503	1438	1.69
5	A'	1498	1433	0.60
6	A'	1422	1360	3.94
7	A'	1337	1279	36.51
8	A'	1106	1058	0.53
9	A'	1010	966	14.58
10	A'	710	679	20.73
11	A'	338	324	2.12
12	A"	3188	3050	25.30
13	A"	3167	3030	0.28
14	A"	1488	1423	6.25
15	A"	1284	1229	0.39
16	A"	1090	1042	0.00
17	A"	792	758	1.97
18	A"	276	264	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.652	0.000
C2	0.000	0.814	0.000
H3	1.994	1.648	0.000
H4	1.851	0.101	0.895
H5	1.851	0.101	-0.895
Cl6	-0.829	-0.785	0.000
H7	-0.350	1.353	0.895
H8	-0.350	1.353	-0.895

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5243	1.1054	1.1032	1.1032	2.7499	2.1847	2.1847
C2	1.5243		2.1619	2.1759	2.1759	1.8012	1.1018	1.1018
H3	1.1054	2.1619		1.7935	1.7935	3.7273	2.5267	2.5267
H4	1.1032	2.1759	1.7935		1.7901	2.9607	2.5321	3.1008
H5	1.1032	2.1759	1.7935	1.7901		2.9607	3.1008	2.5321
Cl6	2.7499	1.8012	3.7273	2.9607	2.9607		2.3670	2.3670
H7	2.1847	1.1018	2.5267	2.5321	3.1008	2.3670		1.7895
H8	2.1847	1.1018	2.5267	3.1008	2.5321	2.3670	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.294	C1	C2	H7	111.588
C1	C2	H8	111.588	C2	C1	H3	109.566
C2	C1	H4	110.798	C2	C1	H5	110.798
H3	C1	H4	108.586	H3	C1	H5	108.586
H4	C1	H5	108.446	Cl6	C2	H7	106.759
Cl6	C2	H8	106.759	H7	C2	H8	108.605

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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