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	hartrees
Energy at 0K	-538.786092
Energy at 298.15K	-538.791576
HF Energy	-538.199148
Nuclear repulsion energy	102.872906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	2953	25.53
2	A'	3115	2932	10.51
3	A'	3062	2882	15.97
4	A'	1521	1432	2.22
5	A'	1514	1425	0.95
6	A'	1432	1348	4.59
7	A'	1340	1261	32.71
8	A'	1107	1042	0.43
9	A'	1005	946	15.96
10	A'	698	657	22.94
11	A'	336	316	2.13
12	A"	3177	2990	17.03
13	A"	3147	2962	4.76
14	A"	1507	1418	7.18
15	A"	1295	1219	0.26
16	A"	1095	1030	0.00
17	A"	796	749	1.98
18	A"	265	249	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.653	0.000
C2	0.000	0.814	0.000
H3	1.977	1.637	0.000
H4	1.837	0.110	0.884
H5	1.837	0.110	-0.884
Cl6	-0.823	-0.784	0.000
H7	-0.349	1.338	0.885
H8	-0.349	1.338	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5145	1.0914	1.0886	1.0886	2.7361	2.1666	2.1666
C2	1.5145		2.1413	2.1564	2.1564	1.7977	1.0859	1.0859
H3	1.0914	2.1413		1.7703	1.7703	3.7014	2.5066	2.5066
H4	1.0886	2.1564	1.7703		1.7673	2.9413	2.5074	3.0682
H5	1.0886	2.1564	1.7703	1.7673		2.9413	3.0682	2.5074
Cl6	2.7361	1.7977	3.7014	2.9413	2.9413		2.3476	2.3476
H7	2.1666	1.0859	2.5066	2.5074	3.0682	2.3476		1.7693
H8	2.1666	1.0859	2.5066	3.0682	2.5074	2.3476	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.111	C1	C2	H7	111.796
C1	C2	H8	111.796	C2	C1	H3	109.441
C2	C1	H4	110.809	C2	C1	H5	110.809
H3	C1	H4	108.593	H3	C1	H5	108.593
H4	C1	H5	108.534	Cl6	C2	H7	106.368
Cl6	C2	H8	106.368	H7	C2	H8	109.114

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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