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	hartrees
Energy at 0K	-538.575161
Energy at 298.15K	-538.580649
HF Energy	-538.130807
Nuclear repulsion energy	102.442193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3138	3019
2	A'	3105	2987
3	A'	3061	2945
4	A'	1544	1486
5	A'	1535	1477
6	A'	1460	1404
7	A'	1370	1318
8	A'	1117	1075
9	A'	1016	977
10	A'	699	673
11	A'	339	326
12	A"	3169	3049
13	A"	3147	3027
14	A"	1529	1471
15	A"	1309	1259
16	A"	1119	1076
17	A"	805	774
18	A"	275	264

Atom	x (Å)	y (Å)	z (Å)
C1	1.512	0.654	0.000
C2	0.000	0.814	0.000
H3	1.985	1.646	0.000
H4	1.847	0.108	0.890
H5	1.847	0.108	-0.890
Cl6	-0.827	-0.786	0.000
H7	-0.349	1.348	0.889
H8	-0.349	1.348	-0.889

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5207	1.0988	1.0964	1.0964	2.7473	2.1760	2.1760
C2	1.5207		2.1525	2.1684	2.1684	1.8011	1.0946	1.0946
H3	1.0988	2.1525		1.7823	1.7823	3.7182	2.5149	2.5149
H4	1.0964	2.1684	1.7823		1.7792	2.9569	2.5219	3.0862
H5	1.0964	2.1684	1.7823	1.7792		2.9569	3.0862	2.5219
Cl6	2.7473	1.8011	3.7182	2.9569	2.9569		2.3615	2.3615
H7	2.1760	1.0946	2.5149	2.5219	3.0862	2.3615		1.7787
H8	2.1760	1.0946	2.5149	3.0862	2.5219	2.3615	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.315	C1	C2	H7	111.580
C1	C2	H8	111.580	C2	C1	H3	109.464
C2	C1	H4	110.862	C2	C1	H5	110.862
H3	C1	H4	108.563	H3	C1	H5	108.563
H4	C1	H5	108.463	Cl6	C2	H7	106.724
Cl6	C2	H8	106.724	H7	C2	H8	108.671

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

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

States and conformations

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