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	hartrees
Energy at 0K	-538.564467
Energy at 298.15K	-538.569966
HF Energy	-538.130944
Nuclear repulsion energy	102.545616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3002	24.52
2	A'	3123	2974	14.95
3	A'	3075	2928	15.85
4	A'	1550	1476	2.65
5	A'	1542	1469	1.84
6	A'	1468	1398	6.64
7	A'	1379	1313	37.39
8	A'	1124	1071	0.96
9	A'	1023	974	15.46
10	A'	705	672	23.44
11	A'	341	325	2.34
12	A"	3186	3034	23.75
13	A"	3162	3011	3.28
14	A"	1536	1462	6.84
15	A"	1316	1253	0.51
16	A"	1126	1072	0.01
17	A"	809	771	2.80
18	A"	274	261	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.655	0.000
C2	0.000	0.813	0.000
H3	1.982	1.647	0.000
H4	1.847	0.111	0.889
H5	1.847	0.111	-0.889
Cl6	-0.826	-0.787	0.000
H7	-0.349	1.345	0.889
H8	-0.349	1.345	-0.889

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5197	1.0981	1.0954	1.0954	2.7466	2.1741	2.1741
C2	1.5197		2.1503	2.1669	2.1669	1.8006	1.0933	1.0933
H3	1.0981	2.1503		1.7808	1.7808	3.7162	2.5127	2.5127
H4	1.0954	2.1669	1.7808		1.7782	2.9565	2.5189	3.0834
H5	1.0954	2.1669	1.7808	1.7782		2.9565	3.0834	2.5189
Cl6	2.7466	1.8006	3.7162	2.9565	2.9565		2.3586	2.3586
H7	2.1741	1.0933	2.5127	2.5189	3.0834	2.3586		1.7786
H8	2.1741	1.0933	2.5127	3.0834	2.5189	2.3586	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.348	C1	C2	H7	111.578
C1	C2	H8	111.578	C2	C1	H3	109.401
C2	C1	H4	110.870	C2	C1	H5	110.870
H3	C1	H4	108.555	H3	C1	H5	108.555
H4	C1	H5	108.526	Cl6	C2	H7	106.613
Cl6	C2	H8	106.613	H7	C2	H8	108.857

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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