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	hartrees
Energy at 0K	-983.006266
Energy at 298.15K
HF Energy	-982.044319
Nuclear repulsion energy	334.992782

Atom	x (Å)	y (Å)
C1	-0.046	0.770
C2	0.046	-0.770
S3	1.309	1.756
S4	-1.309	-1.756
N5	-1.309	1.216
N6	1.309	-1.216
H7	-2.064	0.527
H8	-1.486	2.214
H9	2.064	-0.527
H10	1.486	-2.214

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5423	1.6756	2.8238	1.3396	2.4037	2.0324	2.0400	2.4760	3.3545
C2	1.5423		2.8238	1.6756	2.4037	1.3396	2.4760	3.3545	2.0324	2.0400
S3	1.6756	2.8238		4.3800	2.6731	2.9715	3.5896	2.8327	2.4040	3.9740
S4	2.8238	1.6756	4.3800		2.9715	2.6731	2.4040	3.9740	3.5896	2.8327
N5	1.3396	2.4037	2.6731	2.9715		3.5730	1.0218	1.0142	3.7962	4.4249
N6	2.4037	1.3396	2.9715	2.6731	3.5730		3.7962	4.4249	1.0218	1.0142
H7	2.0324	2.4760	3.5896	2.4040	1.0218	3.7962		1.7836	4.2596	4.4850
H8	2.0400	3.3545	2.8327	3.9740	1.0142	4.4249	1.7836		4.4850	5.3338
H9	2.4760	2.0324	2.4040	3.5896	3.7962	1.0218	4.2596	4.4850		1.7836
H10	3.3545	2.0400	3.9740	2.8327	4.4249	1.0142	4.4850	5.3338	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.639	C1	C2	N6	112.850
C1	N5	H7	118.156	C1	N5	H8	119.511
C2	C1	S3	122.639	C2	C1	N5	112.850
C2	N6	H9	118.156	C2	N6	H10	119.511
S3	C1	N5	124.511	S4	C2	N6	124.511
H7	N5	H8	122.332	H9	N6	H10	122.332

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD(T)=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 C2H4N2S2 (Ethanedithioamide)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)