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	hartrees
Energy at 0K	-538.575416
Energy at 298.15K	-538.580900
HF Energy	-538.130812
Nuclear repulsion energy	102.405512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3137	3009
2	A'	3106	2979
3	A'	3059	2934
4	A'	1543	1481
5	A'	1534	1471
6	A'	1459	1399
7	A'	1369	1313
8	A'	1116	1071
9	A'	1015	974
10	A'	697	669
11	A'	338	324
12	A"	3171	3042
13	A"	3149	3021
14	A"	1529	1467
15	A"	1308	1255
16	A"	1118	1072
17	A"	803	770
18	A"	274	263

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.656	0.000
C2	0.000	0.814	0.000
H3	1.985	1.648	0.000
H4	1.848	0.110	0.889
H5	1.848	0.110	-0.889
Cl6	-0.827	-0.787	0.000
H7	-0.349	1.348	0.890
H8	-0.349	1.348	-0.890

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5209	1.0994	1.0961	1.0961	2.7487	2.1764	2.1764
C2	1.5209		2.1528	2.1686	2.1686	1.8023	1.0945	1.0945
H3	1.0994	2.1528		1.7824	1.7824	3.7199	2.5157	2.5157
H4	1.0961	2.1686	1.7824		1.7789	2.9584	2.5220	3.0863
H5	1.0961	2.1686	1.7824	1.7789		2.9584	3.0863	2.5220
Cl6	2.7487	1.8023	3.7199	2.9584	2.9584		2.3615	2.3615
H7	2.1764	1.0945	2.5157	2.5220	3.0863	2.3615		1.7791
H8	2.1764	1.0945	2.5157	3.0863	2.5220	2.3615	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.327	C1	C2	H7	111.604
C1	C2	H8	111.604	C2	C1	H3	109.438
C2	C1	H4	110.874	C2	C1	H5	110.874
H3	C1	H4	108.558	H3	C1	H5	108.558
H4	C1	H5	108.477	Cl6	C2	H7	106.657
Cl6	C2	H8	106.657	H7	C2	H8	108.738

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

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

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