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	hartrees
Energy at 0K	-983.299317
Energy at 298.15K
HF Energy	-982.129297
Nuclear repulsion energy	337.376984

Atom	x (Å)	y (Å)
C1	-0.047	0.765
C2	0.047	-0.765
S3	1.302	1.739
S4	-1.302	-1.739
N5	-1.302	1.209
N6	1.302	-1.209
H7	-2.048	0.523
H8	-1.480	2.198
H9	2.048	-0.523
H10	1.480	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5332	1.6640	2.8007	1.3307	2.3913	2.0148	2.0262	2.4591	3.3338
C2	1.5332		2.8007	1.6640	2.3913	1.3307	2.4591	3.3338	2.0148	2.0262
S3	1.6640	2.8007		4.3446	2.6571	2.9482	3.5634	2.8191	2.3813	3.9414
S4	2.8007	1.6640	4.3446		2.9482	2.6571	2.3813	3.9414	3.5634	2.8191
N5	1.3307	2.3913	2.6571	2.9482		3.5535	1.0136	1.0051	3.7706	4.3986
N6	2.3913	1.3307	2.9482	2.6571	3.5535		3.7706	4.3986	1.0136	1.0051
H7	2.0148	2.4591	3.5634	2.3813	1.0136	3.7706		1.7695	4.2264	4.4547
H8	2.0262	3.3338	2.8191	3.9414	1.0051	4.3986	1.7695		4.4547	5.2998
H9	2.4591	2.0148	2.3813	3.5634	3.7706	1.0136	4.2264	4.4547		1.7695
H10	3.3338	2.0262	3.9414	2.8191	4.3986	1.0051	4.4547	5.2998	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.277	C1	C2	N6	113.038
C1	N5	H7	117.870	C1	N5	H8	119.677
C2	C1	S3	122.277	C2	C1	N5	113.038
C2	N6	H9	117.870	C2	N6	H10	119.677
S3	C1	N5	124.685	S4	C2	N6	124.685
H7	N5	H8	122.453	H9	N6	H10	122.453

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCSD(T)/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 C2H4N2S2 (Ethanedithioamide)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)