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	hartrees
Energy at 0K	-983.430545
Energy at 298.15K
HF Energy	-982.129988
Nuclear repulsion energy	338.641531

Atom	x (Å)	y (Å)
C1	-0.048	0.760
C2	0.048	-0.760
S3	1.297	1.732
S4	-1.297	-1.732
N5	-1.297	1.203
N6	1.297	-1.203
H7	-2.043	0.519
H8	-1.475	2.190
H9	2.043	-0.519
H10	1.475	-2.190

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5235	1.6600	2.7877	1.3251	2.3802	2.0091	2.0196	2.4515	3.3202
C2	1.5235		2.7877	1.6600	2.3802	1.3251	2.4515	3.3202	2.0091	2.0196
S3	1.6600	2.7877		4.3281	2.6482	2.9349	3.5539	2.8098	2.3710	3.9260
S4	2.7877	1.6600	4.3281		2.9349	2.6482	2.3710	3.9260	3.5539	2.8098
N5	1.3251	2.3802	2.6482	2.9349		3.5385	1.0119	1.0029	3.7579	4.3814
N6	2.3802	1.3251	2.9349	2.6482	3.5385		3.7579	4.3814	1.0119	1.0029
H7	2.0091	2.4515	3.5539	2.3710	1.0119	3.7579		1.7652	4.2155	4.4398
H8	2.0196	3.3202	2.8098	3.9260	1.0029	4.3814	1.7652		4.4398	5.2805
H9	2.4515	2.0091	2.3710	3.5539	3.7579	1.0119	4.2155	4.4398		1.7652
H10	3.3202	2.0196	3.9260	2.8098	4.3814	1.0029	4.4398	5.2805	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.185	C1	C2	N6	113.163
C1	N5	H7	117.940	C1	N5	H8	119.706
C2	C1	S3	122.185	C2	C1	N5	113.163
C2	N6	H9	117.940	C2	N6	H10	119.706
S3	C1	N5	124.652	S4	C2	N6	124.652
H7	N5	H8	122.354	H9	N6	H10	122.354

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)