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	hartrees
Energy at 0K	-538.630476
Energy at 298.15K	-538.635957
HF Energy	-538.158263
Nuclear repulsion energy	102.095149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3023	22.38
2	A'	3111	2984	18.62
3	A'	3066	2941	18.00
4	A'	1500	1439	1.63
5	A'	1495	1434	0.52
6	A'	1418	1361	3.54
7	A'	1329	1275	37.77
8	A'	1103	1058	0.49
9	A'	1004	964	14.62
10	A'	695	667	23.22
11	A'	336	323	2.23
12	A"	3180	3051	25.80
13	A"	3159	3030	0.89
14	A"	1485	1425	6.14
15	A"	1279	1228	0.38
16	A"	1085	1041	0.00
17	A"	790	758	1.91
18	A"	274	263	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.655	0.000
C2	0.000	0.817	0.000
H3	1.994	1.652	0.000
H4	1.851	0.104	0.895
H5	1.851	0.104	-0.895
Cl6	-0.829	-0.788	0.000
H7	-0.352	1.354	0.896
H8	-0.352	1.354	-0.896

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5245	1.1059	1.1037	1.1037	2.7530	2.1866	2.1866
C2	1.5245		2.1622	2.1765	2.1765	1.8062	1.1021	1.1021
H3	1.1059	2.1622		1.7944	1.7944	3.7314	2.5295	2.5295
H4	1.1037	2.1765	1.7944		1.7909	2.9628	2.5335	3.1026
H5	1.1037	2.1765	1.7944	1.7909		2.9628	3.1026	2.5335
Cl6	2.7530	1.8062	3.7314	2.9628	2.9628		2.3700	2.3700
H7	2.1866	1.1021	2.5295	2.5335	3.1026	2.3700		1.7910
H8	2.1866	1.1021	2.5295	3.1026	2.5335	2.3700	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.210	C1	C2	H7	111.699
C1	C2	H8	111.699	C2	C1	H3	109.540
C2	C1	H4	110.796	C2	C1	H5	110.796
H3	C1	H4	108.596	H3	C1	H5	108.596
H4	C1	H5	108.455	Cl6	C2	H7	106.635
Cl6	C2	H8	106.635	H7	C2	H8	108.697

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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