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	hartrees
Energy at 0K	-538.657053
Energy at 298.15K	-538.662550
HF Energy	-538.147385
Nuclear repulsion energy	103.033600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3028	9.58
2	A'	3153	2978	11.25
3	A'	3111	2939	9.29
4	A'	1530	1445	2.23
5	A'	1518	1433	1.46
6	A'	1430	1351	5.34
7	A'	1339	1264	34.25
8	A'	1110	1048	0.66
9	A'	1009	953	18.74
10	A'	716	676	21.29
11	A'	337	318	2.24
12	A"	3234	3054	9.51
13	A"	3213	3034	0.09
14	A"	1516	1431	7.04
15	A"	1294	1222	0.45
16	A"	1097	1037	0.00
17	A"	797	752	3.19
18	A"	275	259	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.643	0.000
C2	0.000	0.813	0.000
H3	1.980	1.627	0.000
H4	1.833	0.098	0.885
H5	1.833	0.098	-0.885
Cl6	-0.822	-0.779	0.000
H7	-0.350	1.338	0.887
H8	-0.350	1.338	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5149	1.0925	1.0897	1.0897	2.7272	2.1709	2.1709
C2	1.5149		2.1406	2.1576	2.1576	1.7915	1.0887	1.0887
H3	1.0925	2.1406		1.7725	1.7725	3.6929	2.5097	2.5097
H4	1.0897	2.1576	1.7725		1.7698	2.9330	2.5108	3.0732
H5	1.0897	2.1576	1.7725	1.7698		2.9330	3.0732	2.5108
Cl6	2.7272	1.7915	3.6929	2.9330	2.9330		2.3432	2.3432
H7	2.1709	1.0887	2.5097	2.5108	3.0732	2.3432		1.7745
H8	2.1709	1.0887	2.5097	3.0732	2.5108	2.3432	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.865	C1	C2	H7	111.939
C1	C2	H8	111.939	C2	C1	H3	109.293
C2	C1	H4	110.808	C2	C1	H5	110.808
H3	C1	H4	108.640	H3	C1	H5	108.640
H4	C1	H5	108.595	Cl6	C2	H7	106.315
Cl6	C2	H8	106.315	H7	C2	H8	109.163

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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