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	hartrees
Energy at 0K	-555.543012
Energy at 298.15K
HF Energy	-554.822467
Nuclear repulsion energy	233.907319

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.565
C2	0.000	1.378	-0.615
C3	0.000	-1.378	-0.615
C4	0.000	2.709	0.125
C5	0.000	-2.709	0.125
H6	0.884	1.303	-1.251
H7	-0.884	1.303	-1.251
H8	0.884	-1.303	-1.251
H9	-0.884	-1.303	-1.251
H10	0.000	3.533	-0.589
H11	0.000	-3.533	-0.589
H12	-0.883	2.805	0.755
H13	0.883	2.805	0.755
H14	0.883	-2.805	0.755
H15	-0.883	-2.805	0.755

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8143	1.8143	2.7446	2.7446	2.4040	2.4040	2.4040	2.4040	3.7166	3.7166	2.9473	2.9473	2.9473	2.9473
C2	1.8143		2.7560	1.5231	4.1536	1.0917	1.0917	2.8941	2.8941	2.1551	4.9109	2.1670	2.1670	4.4899	4.4899
C3	1.8143	2.7560		4.1536	1.5231	2.8941	2.8941	1.0917	1.0917	4.9109	2.1551	4.4899	4.4899	2.1670	2.1670
C4	2.7446	1.5231	4.1536		5.4182	2.1568	2.1568	4.3330	4.3330	1.0901	6.2827	1.0894	1.0894	5.6202	5.6202
C5	2.7446	4.1536	1.5231	5.4182		4.3330	4.3330	2.1568	2.1568	6.2827	1.0901	5.6202	5.6202	1.0894	1.0894
H6	2.4040	1.0917	2.8941	2.1568	4.3330		1.7685	2.6067	3.1500	2.4882	4.9608	3.0669	2.5064	4.5725	4.9022
H7	2.4040	1.0917	2.8941	2.1568	4.3330	1.7685		3.1500	2.6067	2.4882	4.9608	2.5064	3.0669	4.9022	4.5725
H8	2.4040	2.8941	1.0917	4.3330	2.1568	2.6067	3.1500		1.7685	4.9608	2.4882	4.9022	4.5725	2.5064	3.0669
H9	2.4040	2.8941	1.0917	4.3330	2.1568	3.1500	2.6067	1.7685		4.9608	2.4882	4.5725	4.9022	3.0669	2.5064
H10	3.7166	2.1551	4.9109	1.0901	6.2827	2.4882	2.4882	4.9608	4.9608		7.0658	1.7654	1.7654	6.5392	6.5392
H11	3.7166	4.9109	2.1551	6.2827	1.0901	4.9608	4.9608	2.4882	2.4882	7.0658		6.5392	6.5392	1.7654	1.7654
H12	2.9473	2.1670	4.4899	1.0894	5.6202	3.0669	2.5064	4.9022	4.5725	1.7654	6.5392		1.7664	5.8822	5.6107
H13	2.9473	2.1670	4.4899	1.0894	5.6202	2.5064	3.0669	4.5725	4.9022	1.7654	6.5392	1.7664		5.6107	5.8822
H14	2.9473	4.4899	2.1670	5.6202	1.0894	4.5725	4.9022	2.5064	3.0669	6.5392	1.7654	5.8822	5.6107		1.7664
H15	2.9473	4.4899	2.1670	5.6202	1.0894	4.9022	4.5725	3.0669	2.5064	6.5392	1.7654	5.6107	5.8822	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.344	S1	C2	H6	109.087
S1	C2	H7	109.087	S1	C3	C5	110.344
S1	C3	H8	109.087	S1	C3	H9	109.087
C2	S1	C3	98.839	C2	C4	H10	110.011
C2	C4	H12	111.006	C2	C4	H13	111.006
C3	C5	H11	110.011	C3	C5	H14	111.006
C3	C5	H15	111.006	C4	C2	H6	110.048
C4	C2	H7	110.048	C5	C3	H8	110.048
C5	C3	H9	110.048	H6	C2	H7	108.184
H8	C3	H9	108.184	H10	C4	H12	108.196
H10	C4	H13	108.196	H11	C5	H14	108.196
H11	C5	H15	108.196	H12	C4	H13	108.330
H14	C5	H15	108.330

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)

using model chemistry: MP2/6-31+G**

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 C2H5SC2H5 (Diethyl sulfide)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)