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	hartrees
Energy at 0K	-984.013372
Energy at 298.15K	-984.019394
HF Energy	-983.721209
Nuclear repulsion energy	336.490831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3701	3510	0.00
2	A_g	3514	3333	0.00
3	A_g	1668	1582	0.00
4	A_g	1463	1388	0.00
5	A_g	1346	1277	0.00
6	A_g	962	913	0.00
7	A_g	682	647	0.00
8	A_g	425	403	0.00
9	A_g	340	322	0.00
10	A_u	664	630	7.58
11	A_u	506	480	374.43
12	A_u	388	368	57.32
13	A_u	39	37	7.75
14	B_g	716	679	0.00
15	B_g	657	623	0.00
16	B_g	478	453	0.00
17	B_u	3702	3511	202.33
18	B_u	3519	3338	224.44
19	B_u	1633	1549	470.35
20	B_u	1451	1376	265.50
21	B_u	1253	1188	117.91
22	B_u	877	832	50.97
23	B_u	463	439	0.82
24	B_u	286	272	25.96

Atom	x (Å)	y (Å)
C1	-0.047	0.764
C2	0.047	-0.764
S3	1.299	1.749
S4	-1.299	-1.749
N5	-1.299	1.219
N6	1.299	-1.219
H7	-2.068	0.553
H8	-1.469	2.214
H9	2.068	-0.553
H10	1.469	-2.214

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5307	1.6678	2.8078	1.3327	2.3962	2.0320	2.0313	2.4909	3.3414
C2	1.5307		2.8078	1.6678	2.3962	1.3327	2.4909	3.3414	2.0320	2.0313
S3	1.6678	2.8078		4.3575	2.6521	2.9676	3.5729	2.8072	2.4270	3.9665
S4	2.8078	1.6678	4.3575		2.9676	2.6521	2.4270	3.9665	3.5729	2.8072
N5	1.3327	2.3962	2.6521	2.9676		3.5627	1.0165	1.0096	3.8047	4.4099
N6	2.3962	1.3327	2.9676	2.6521	3.5627		3.8047	4.4099	1.0165	1.0096
H7	2.0320	2.4909	3.5729	2.4270	1.0165	3.8047		1.7653	4.2807	4.4907
H8	2.0313	3.3414	2.8072	3.9665	1.0096	4.4099	1.7653		4.4907	5.3141
H9	2.4909	2.0320	2.4270	3.5729	3.8047	1.0165	4.2807	4.4907		1.7653
H10	3.3414	2.0313	3.9665	2.8072	4.4099	1.0096	4.4907	5.3141	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.713	C1	C2	N6	113.439
C1	N5	H7	119.154	C1	N5	H8	119.641
C2	C1	S3	122.713	C2	C1	N5	113.439
C2	N6	H9	119.154	C2	N6	H10	119.641
S3	C1	N5	123.848	S4	C2	N6	123.848
H7	N5	H8	121.205	H9	N6	H10	121.205

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)