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	hartrees
Energy at 0K	-538.582020
Energy at 298.15K	-538.587526
HF Energy	-538.130999
Nuclear repulsion energy	102.658342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	2998	23.49
2	A'	3128	2971	14.59
3	A'	3080	2925	15.27
4	A'	1552	1474	2.81
5	A'	1544	1467	1.85
6	A'	1471	1397	6.93
7	A'	1382	1312	36.71
8	A'	1127	1070	0.99
9	A'	1026	974	15.40
10	A'	709	673	22.82
11	A'	343	326	2.32
12	A"	3191	3031	22.64
13	A"	3167	3008	3.09
14	A"	1537	1460	7.04
15	A"	1319	1252	0.52
16	A"	1128	1071	0.01
17	A"	811	770	2.91
18	A"	275	261	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.509	0.654	0.000
C2	0.000	0.813	0.000
H3	1.980	1.645	0.000
H4	1.844	0.109	0.889
H5	1.844	0.109	-0.889
Cl6	-0.825	-0.785	0.000
H7	-0.348	1.344	0.889
H8	-0.348	1.344	-0.889

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5177	1.0974	1.0947	1.0947	2.7426	2.1719	2.1719
C2	1.5177		2.1482	2.1645	2.1645	1.7984	1.0927	1.0927
H3	1.0974	2.1482		1.7798	1.7798	3.7119	2.5104	2.5104
H4	1.0947	2.1645	1.7798		1.7772	2.9521	2.5162	3.0807
H5	1.0947	2.1645	1.7798	1.7772		2.9521	3.0807	2.5162
Cl6	2.7426	1.7984	3.7119	2.9521	2.9521		2.3564	2.3564
H7	2.1719	1.0927	2.5104	2.5162	3.0807	2.3564		1.7777
H8	2.1719	1.0927	2.5104	3.0807	2.5162	2.3564	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.317	C1	C2	H7	111.577
C1	C2	H8	111.577	C2	C1	H3	109.408
C2	C1	H4	110.859	C2	C1	H5	110.859
H3	C1	H4	108.562	H3	C1	H5	108.562
H4	C1	H5	108.529	Cl6	C2	H7	106.623
Cl6	C2	H8	106.623	H7	C2	H8	108.872

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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