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	hartrees
Energy at 0K	-983.059849
Energy at 298.15K	-983.065762
HF Energy	-982.063806
Nuclear repulsion energy	334.002896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3677	3595
2	A_g	3473	3396
3	A_g	1624	1588
4	A_g	1415	1384
5	A_g	1340	1310
6	A_g	960	939
7	A_g	667	652
8	A_g	409	400
9	A_g	330	323
10	A_u	656	642
11	A_u	472	462
12	A_u	377	369
13	A_u	26	25
14	B_g	686	671
15	B_g	642	628
16	B_g	467	457
17	B_u	3677	3596
18	B_u	3479	3401
19	B_u	1590	1555
20	B_u	1404	1373
21	B_u	1225	1197
22	B_u	859	840
23	B_u	442	432
24	B_u	276	270

Atom	x (Å)	y (Å)
C1	-0.048	0.769
C2	0.048	-0.769
S3	1.313	1.758
S4	-1.313	-1.758
N5	-1.313	1.225
N6	1.313	-1.225
H7	-2.076	0.546
H8	-1.482	2.224
H9	2.076	-0.546
H10	1.482	-2.224

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5415	1.6824	2.8260	1.3447	2.4147	2.0402	2.0431	2.4984	3.3621
C2	1.5415		2.8260	1.6824	2.4147	1.3447	2.4984	3.3621	2.0402	2.0431
S3	1.6824	2.8260		4.3883	2.6799	2.9829	3.5994	2.8342	2.4267	3.9858
S4	2.8260	1.6824	4.3883		2.9829	2.6799	2.4267	3.9858	3.5994	2.8342
N5	1.3447	2.4147	2.6799	2.9829		3.5919	1.0214	1.0134	3.8241	4.4401
N6	2.4147	1.3447	2.9829	2.6799	3.5919		3.8241	4.4401	1.0214	1.0134
H7	2.0402	2.4984	3.5994	2.4267	1.0214	3.8241		1.7804	4.2933	4.5096
H8	2.0431	3.3621	2.8342	3.9858	1.0134	4.4401	1.7804		4.5096	5.3461
H9	2.4984	2.0402	2.4267	3.5994	3.8241	1.0214	4.2933	4.5096		1.7804
H10	3.3621	2.0431	3.9858	2.8342	4.4401	1.0134	4.5096	5.3461	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.406	C1	C2	N6	113.399
C1	N5	H7	118.502	C1	N5	H8	119.423
C2	C1	S3	122.406	C2	C1	N5	113.399
C2	N6	H9	118.502	C2	N6	H10	119.423
S3	C1	N5	124.195	S4	C2	N6	124.195
H7	N5	H8	122.075	H9	N6	H10	122.075

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)