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	hartrees
Energy at 0K	-983.060491
Energy at 298.15K
HF Energy	-982.081890
Nuclear repulsion energy	335.753536

Atom	x (Å)	y (Å)
C1	-0.042	0.770
C2	0.042	-0.770
S3	1.306	1.749
S4	-1.306	-1.749
N5	-1.306	1.220
N6	1.306	-1.220
H7	-2.062	0.542
H8	-1.484	2.213
H9	2.062	-0.542
H10	1.484	-2.213

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5419	1.6660	2.8179	1.3416	2.4031	2.0332	2.0396	2.4800	3.3501
C2	1.5419		2.8179	1.6660	2.4031	1.3416	2.4800	3.3501	2.0332	2.0396
S3	1.6660	2.8179		4.3651	2.6651	2.9683	3.5781	2.8279	2.4125	3.9654
S4	2.8179	1.6660	4.3651		2.9683	2.6651	2.4125	3.9654	3.5781	2.8279
N5	1.3416	2.4031	2.6651	2.9683		3.5738	1.0154	1.0089	3.8014	4.4229
N6	2.4031	1.3416	2.9683	2.6651	3.5738		3.8014	4.4229	1.0154	1.0089
H7	2.0332	2.4800	3.5781	2.4125	1.0154	3.8014		1.7680	4.2651	4.4904
H8	2.0396	3.3501	2.8279	3.9654	1.0089	4.4229	1.7680		4.4904	5.3280
H9	2.4800	2.0332	2.4125	3.5781	3.8014	1.0154	4.2651	4.4904		1.7680
H10	3.3501	2.0396	3.9654	2.8279	4.4229	1.0089	4.4904	5.3280	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.860	C1	C2	N6	112.711
C1	N5	H7	118.571	C1	N5	H8	119.724
C2	C1	S3	122.860	C2	C1	N5	112.711
C2	N6	H9	118.571	C2	N6	H10	119.724
S3	C1	N5	124.429	S4	C2	N6	124.429
H7	N5	H8	121.705	H9	N6	H10	121.705

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)