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	hartrees
Energy at 0K	-983.015335
Energy at 298.15K
HF Energy	-982.083471
Nuclear repulsion energy	336.651639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3739	3567	0.00
2	A_g	3564	3401	0.00
3	A_g	1658	1582	0.00
4	A_g	1449	1382	0.00
5	A_g	1361	1298	0.00
6	A_g	971	926	0.00
7	A_g	681	650	0.00
8	A_g	417	398	0.00
9	A_g	334	319	0.00
10	A_u	639	610	1.51
11	A_u	380	362	4.85
12	A_u	350	334	404.05
13	A_u	54i	52i	0.99
14	B_g	666	636	0.00
15	B_g	631	602	0.00
16	B_g	317	302	0.00
17	B_u	3740	3568	189.27
18	B_u	3570	3407	275.75
19	B_u	1624	1550	472.03
20	B_u	1437	1371	401.28
21	B_u	1243	1186	137.38
22	B_u	880	839	65.41
23	B_u	463	442	0.90
24	B_u	277	264	23.67

Atom	x (Å)	y (Å)
C1	-0.045	0.770
C2	0.045	-0.770
S3	1.300	1.747
S4	-1.300	-1.747
N5	-1.300	1.219
N6	1.300	-1.219
H7	-2.061	0.552
H8	-1.472	2.211
H9	2.061	-0.552
H10	1.472	-2.211

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5417	1.6623	2.8117	1.3328	2.4007	2.0273	2.0282	2.4858	3.3444
C2	1.5417		2.8117	1.6623	2.4007	1.3328	2.4858	3.3444	2.0273	2.0282
S3	1.6623	2.8117		4.3544	2.6524	2.9659	3.5665	2.8102	2.4209	3.9614
S4	2.8117	1.6623	4.3544		2.9659	2.6524	2.4209	3.9614	3.5665	2.8102
N5	1.3328	2.4007	2.6524	2.9659		3.5641	1.0123	1.0066	3.7983	4.4100
N6	2.4007	1.3328	2.9659	2.6524	3.5641		3.7983	4.4100	1.0123	1.0066
H7	2.0273	2.4858	3.5665	2.4209	1.0123	3.7983		1.7608	4.2663	4.4845
H8	2.0282	3.3444	2.8102	3.9614	1.0066	4.4100	1.7608		4.4845	5.3122
H9	2.4858	2.0273	2.4209	3.5665	3.7983	1.0123	4.2663	4.4845		1.7608
H10	3.3444	2.0282	3.9614	2.8102	4.4100	1.0066	4.4845	5.3122	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.651	C1	C2	N6	113.071
C1	N5	H7	119.016	C1	N5	H8	119.569
C2	C1	S3	122.651	C2	C1	N5	113.071
C2	N6	H9	119.016	C2	N6	H10	119.569
S3	C1	N5	124.278	S4	C2	N6	124.278
H7	N5	H8	121.415	H9	N6	H10	121.415

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)