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	hartrees
Energy at 0K	-538.701402
Energy at 298.15K	-538.706886
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3001	16.38
2	A'	3142	2971	10.86
3	A'	3094	2925	12.18
4	A'	1533	1449	1.92
5	A'	1523	1440	1.23
6	A'	1444	1365	4.22
7	A'	1348	1275	35.86
8	A'	1109	1049	0.72
9	A'	1009	954	16.76
10	A'	705	667	23.19
11	A'	337	319	2.18
12	A"	3209	3034	13.19
13	A"	3185	3011	2.24
14	A"	1518	1435	6.17
15	A"	1298	1227	0.34
16	A"	1100	1040	0.00
17	A"	797	754	2.58
18	A"	267	252	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.649	0.000
C2	0.000	0.814	0.000
H3	1.983	1.636	0.000
H4	1.842	0.105	0.886
H5	1.842	0.105	-0.886
Cl6	-0.825	-0.783	0.000
H7	-0.350	1.340	0.887
H8	-0.350	1.340	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5192	1.0938	1.0911	1.0911	2.7396	2.1739	2.1739
C2	1.5192		2.1461	2.1632	2.1632	1.7978	1.0890	1.0890
H3	1.0938	2.1461		1.7740	1.7740	3.7060	2.5133	2.5133
H4	1.0911	2.1632	1.7740		1.7714	2.9471	2.5161	3.0778
H5	1.0911	2.1632	1.7740	1.7714		2.9471	3.0778	2.5161
Cl6	2.7396	1.7978	3.7060	2.9471	2.9471		2.3495	2.3495
H7	2.1739	1.0890	2.5133	2.5161	3.0778	2.3495		1.7738
H8	2.1739	1.0890	2.5133	3.0778	2.5161	2.3495	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.085	C1	C2	H7	111.854
C1	C2	H8	111.854	C2	C1	H3	109.358
C2	C1	H4	110.870	C2	C1	H5	110.870
H3	C1	H4	108.572	H3	C1	H5	108.572
H4	C1	H5	108.537	Cl6	C2	H7	106.349
Cl6	C2	H8	106.349	H7	C2	H8	109.053

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

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

States and conformations

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