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	hartrees
Energy at 0K	-538.515654
Energy at 298.15K	-538.521196
HF Energy	-538.131323
Nuclear repulsion energy	102.928335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	2982	25.61
2	A'	3196	2959	13.56
3	A'	3144	2911	15.77
4	A'	1583	1466	2.70
5	A'	1576	1459	1.93
6	A'	1502	1390	6.95
7	A'	1411	1306	40.32
8	A'	1147	1062	1.18
9	A'	1043	966	16.81
10	A'	724	671	27.25
11	A'	349	323	2.45
12	A"	3260	3018	21.14
13	A"	3233	2993	4.75
14	A"	1568	1452	7.08
15	A"	1345	1245	0.49
16	A"	1150	1065	0.01
17	A"	825	764	2.85
18	A"	278	257	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.507	0.652	0.000
C2	0.000	0.809	0.000
H3	1.975	1.639	0.000
H4	1.842	0.110	0.884
H5	1.842	0.110	-0.884
Cl6	-0.824	-0.782	0.000
H7	-0.347	1.340	0.883
H8	-0.347	1.340	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5154	1.0921	1.0895	1.0895	2.7373	2.1655	2.1655
C2	1.5154		2.1426	2.1594	2.1594	1.7919	1.0872	1.0872
H3	1.0921	2.1426		1.7706	1.7706	3.7012	2.5022	2.5022
H4	1.0895	2.1594	1.7706		1.7679	2.9475	2.5104	3.0700
H5	1.0895	2.1594	1.7706	1.7679		2.9475	3.0700	2.5104
Cl6	2.7373	1.7919	3.7012	2.9475	2.9475		2.3476	2.3476
H7	2.1655	1.0872	2.5022	2.5104	3.0700	2.3476		1.7664
H8	2.1655	1.0872	2.5022	3.0700	2.5104	2.3476	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.443	C1	C2	H7	111.567
C1	C2	H8	111.567	C2	C1	H3	109.443
C2	C1	H4	110.931	C2	C1	H5	110.931
H3	C1	H4	108.506	H3	C1	H5	108.506
H4	C1	H5	108.455	Cl6	C2	H7	106.677
Cl6	C2	H8	106.677	H7	C2	H8	108.657

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

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

using model chemistry: CISD/6-31G*

States and conformations

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