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	hartrees
Energy at 0K	-539.443930
Energy at 298.15K	-539.449335
HF Energy	-539.443930
Nuclear repulsion energy	102.302504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3005	25.59
2	A'	3086	2978	11.06
3	A'	3037	2931	18.70
4	A'	1513	1460	1.42
5	A'	1499	1446	0.71
6	A'	1416	1367	2.19
7	A'	1311	1265	41.56
8	A'	1086	1048	0.69
9	A'	977	943	19.89
10	A'	667	644	30.32
11	A'	321	310	3.01
12	A"	3155	3044	21.03
13	A"	3127	3018	2.99
14	A"	1496	1443	5.62
15	A"	1274	1229	0.30
16	A"	1072	1034	0.00
17	A"	780	753	2.77
18	A"	254	245	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.662	0.000
C2	0.000	0.816	0.000
H3	1.976	1.656	0.000
H4	1.851	0.121	0.887
H5	1.851	0.121	-0.887
Cl6	-0.826	-0.791	0.000
H7	-0.358	1.338	0.889
H8	-0.358	1.338	-0.889

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5207	1.0962	1.0930	1.0930	2.7533	2.1785	2.1785
C2	1.5207		2.1470	2.1674	2.1674	1.8070	1.0908	1.0908
H3	1.0962	2.1470		1.7770	1.7770	3.7198	2.5177	2.5177
H4	1.0930	2.1674	1.7770		1.7749	2.9641	2.5218	3.0846
H5	1.0930	2.1674	1.7770	1.7749		2.9641	3.0846	2.5218
Cl6	2.7533	1.8070	3.7198	2.9641	2.9641		2.3537	2.3537
H7	2.1785	1.0908	2.5177	2.5218	3.0846	2.3537		1.7776
H8	2.1785	1.0908	2.5177	3.0846	2.5218	2.3537	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.370	C1	C2	H7	112.016
C1	C2	H8	112.016	C2	C1	H3	109.178
C2	C1	H4	110.987	C2	C1	H5	110.987
H3	C1	H4	108.523	H3	C1	H5	108.523
H4	C1	H5	108.576	Cl6	C2	H7	105.973
Cl6	C2	H8	105.973	H7	C2	H8	109.142

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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