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	hartrees
Energy at 0K	-538.757882
Energy at 298.15K	-538.763375
HF Energy	-538.200360
Nuclear repulsion energy	103.154054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3014	14.40
2	A'	3122	2975	12.96
3	A'	3074	2929	12.93
4	A'	1521	1449	2.63
5	A'	1513	1442	1.38
6	A'	1421	1354	5.50
7	A'	1330	1268	30.50
8	A'	1107	1055	0.43
9	A'	1004	957	17.73
10	A'	705	672	21.70
11	A'	336	320	2.13
12	A"	3194	3044	10.85
13	A"	3171	3022	1.60
14	A"	1506	1435	8.71
15	A"	1290	1229	0.17
16	A"	1094	1042	0.00
17	A"	797	759	2.34
18	A"	270	257	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.501	0.644	0.000
C2	0.000	0.814	0.000
H3	1.976	1.626	0.000
H4	1.827	0.099	0.884
H5	1.827	0.099	-0.884
Cl6	-0.820	-0.779	0.000
H7	-0.350	1.335	0.886
H8	-0.350	1.335	-0.886

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5108	1.0908	1.0880	1.0880	2.7224	2.1660	2.1660
C2	1.5108		2.1359	2.1514	2.1514	1.7918	1.0863	1.0863
H3	1.0908	2.1359		1.7707	1.7707	3.6876	2.5060	2.5060
H4	1.0880	2.1514	1.7707		1.7675	2.9248	2.5033	3.0660
H5	1.0880	2.1514	1.7707	1.7675		2.9248	3.0660	2.5033
Cl6	2.7224	1.7918	3.6876	2.9248	2.9248		2.3403	2.3403
H7	2.1660	1.0863	2.5060	2.5033	3.0660	2.3403		1.7730
H8	2.1660	1.0863	2.5060	3.0660	2.5033	2.3403	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.749	C1	C2	H7	111.991
C1	C2	H8	111.991	C2	C1	H3	109.304
C2	C1	H4	110.708	C2	C1	H5	110.708
H3	C1	H4	108.716	H3	C1	H5	108.716
H4	C1	H5	108.640	Cl6	C2	H7	106.204
Cl6	C2	H8	106.204	H7	C2	H8	109.382

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVTZ

States and conformations

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