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	hartrees
Energy at 0K	-538.628917
Energy at 298.15K	-538.634424
HF Energy	-538.170569
Nuclear repulsion energy	102.586998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	2989	29.67
2	A'	3096	2965	15.45
3	A'	3046	2916	18.11
4	A'	1529	1464	3.39
5	A'	1520	1455	1.41
6	A'	1454	1392	8.47
7	A'	1373	1315	37.95
8	A'	1116	1068	0.81
9	A'	1013	970	17.06
10	A'	702	672	24.48
11	A'	340	325	2.04
12	A"	3160	3025	25.17
13	A"	3132	2998	5.12
14	A"	1516	1451	8.74
15	A"	1307	1252	1.46
16	A"	1121	1073	0.26
17	A"	803	768	3.48
18	A"	279	267	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.650	0.000
C2	0.000	0.815	0.000
H3	1.990	1.637	0.000
H4	1.844	0.103	0.887
H5	1.844	0.103	-0.887
Cl6	-0.826	-0.784	0.000
H7	-0.347	1.346	0.889
H8	-0.347	1.346	-0.889

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5194	1.0974	1.0945	1.0945	2.7416	2.1737	2.1737
C2	1.5194		2.1530	2.1668	2.1668	1.7993	1.0923	1.0923
H3	1.0974	2.1530		1.7785	1.7785	3.7136	2.5168	2.5168
H4	1.0945	2.1668	1.7785		1.7746	2.9504	2.5194	3.0826
H5	1.0945	2.1668	1.7785	1.7746		2.9504	3.0826	2.5194
Cl6	2.7416	1.7993	3.7136	2.9504	2.9504		2.3573	2.3573
H7	2.1737	1.0923	2.5168	2.5194	3.0826	2.3573		1.7777
H8	2.1737	1.0923	2.5168	3.0826	2.5194	2.3573	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.118	C1	C2	H7	111.623
C1	C2	H8	111.623	C2	C1	H3	109.666
C2	C1	H4	110.931	C2	C1	H5	110.931
H3	C1	H4	108.460	H3	C1	H5	108.460
H4	C1	H5	108.319	Cl6	C2	H7	106.652
Cl6	C2	H8	106.652	H7	C2	H8	108.921

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

using model chemistry: QCISD/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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All results from a given calculation for CH3CH2Cl (Ethyl chloride)

using model chemistry: QCISD/6-311G*

States and conformations

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