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	hartrees
Energy at 0K	-538.598840
Energy at 298.15K	-538.604347
HF Energy	-538.158545
Nuclear repulsion energy	102.556640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3039	14.79
2	A'	3136	2980	19.20
3	A'	3097	2943	14.48
4	A'	1502	1428	2.20
5	A'	1495	1421	0.63
6	A'	1411	1341	5.33
7	A'	1328	1262	35.27
8	A'	1110	1055	0.61
9	A'	1010	960	16.65
10	A'	714	678	20.45
11	A'	339	322	2.26
12	A"	3220	3060	18.88
13	A"	3198	3040	0.33
14	A"	1487	1413	7.42
15	A"	1283	1220	0.51
16	A"	1087	1033	0.00
17	A"	792	753	2.60
18	A"	282	268	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.649	0.000
C2	0.000	0.813	0.000
H3	1.990	1.641	0.000
H4	1.842	0.098	0.892
H5	1.842	0.098	-0.892
Cl6	-0.825	-0.783	0.000
H7	-0.350	1.350	0.893
H8	-0.350	1.350	-0.893

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5187	1.1024	1.1001	1.1001	2.7392	2.1793	2.1793
C2	1.5187		2.1558	2.1681	2.1681	1.7962	1.0994	1.0994
H3	1.1024	2.1558		1.7886	1.7886	3.7152	2.5221	2.5221
H4	1.1001	2.1681	1.7886		1.7848	2.9476	2.5248	3.0922
H5	1.1001	2.1681	1.7886	1.7848		2.9476	3.0922	2.5248
Cl6	2.7392	1.7962	3.7152	2.9476	2.9476		2.3603	2.3603
H7	2.1793	1.0994	2.5221	2.5248	3.0922	2.3603		1.7859
H8	2.1793	1.0994	2.5221	3.0922	2.5248	2.3603	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.168	C1	C2	H7	111.689
C1	C2	H8	111.689	C2	C1	H3	109.645
C2	C1	H4	110.752	C2	C1	H5	110.752
H3	C1	H4	108.601	H3	C1	H5	108.601
H4	C1	H5	108.429	Cl6	C2	H7	106.710
Cl6	C2	H8	106.710	H7	C2	H8	108.617

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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