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	hartrees
Energy at 0K	-983.078250
Energy at 298.15K	-983.084442
HF Energy	-982.027159
Nuclear repulsion energy	338.516679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3769	3570	0.00
2	A_g	3590	3400	0.00
3	A_g	1674	1585	0.00
4	A_g	1472	1394	0.00
5	A_g	1379	1306	0.00
6	A_g	993	940	0.00
7	A_g	692	655	0.00
8	A_g	422	400	0.00
9	A_g	342	324	0.00
10	A_u	676	640	1.63
11	A_u	547	518	292.01
12	A_u	406	385	41.77
13	A_u	39	37	10.87
14	B_g	747	707	0.00
15	B_g	672	636	0.00
16	B_g	521	494	0.00
17	B_u	3770	3571	224.31
18	B_u	3598	3408	289.32
19	B_u	1636	1550	556.07
20	B_u	1469	1392	432.83
21	B_u	1262	1195	132.83
22	B_u	904	856	80.63
23	B_u	467	442	0.45
24	B_u	289	274	27.62

Atom	x (Å)	y (Å)
C1	-0.047	0.766
C2	0.047	-0.766
S3	1.293	1.734
S4	-1.293	-1.734
N5	-1.293	1.215
N6	1.293	-1.215
H7	-2.054	0.551
H8	-1.461	2.205
H9	2.054	-0.551
H10	1.461	-2.205

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5341	1.6536	2.7927	1.3238	2.3911	2.0183	2.0171	2.4801	3.3313
C2	1.5341		2.7927	1.6536	2.3911	1.3238	2.4801	3.3313	2.0183	2.0171
S3	1.6536	2.7927		4.3259	2.6374	2.9486	3.5501	2.7935	2.4085	3.9425
S4	2.7927	1.6536	4.3259		2.9486	2.6374	2.4085	3.9425	3.5501	2.7935
N5	1.3238	2.3911	2.6374	2.9486		3.5478	1.0101	1.0044	3.7842	4.3902
N6	2.3911	1.3238	2.9486	2.6374	3.5478		3.7842	4.3902	1.0101	1.0044
H7	2.0183	2.4801	3.5501	2.4085	1.0101	3.7842		1.7572	4.2538	4.4665
H8	2.0171	3.3313	2.7935	3.9425	1.0044	4.3902	1.7572		4.4665	5.2895
H9	2.4801	2.0183	2.4085	3.5501	3.7842	1.0101	4.2538	4.4665		1.7572
H10	3.3313	2.0171	3.9425	2.7935	4.3902	1.0044	4.4665	5.2895	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.302	C1	C2	N6	113.376
C1	N5	H7	119.099	C1	N5	H8	119.446
C2	C1	S3	122.302	C2	C1	N5	113.376
C2	N6	H9	119.099	C2	N6	H10	119.446
S3	C1	N5	124.322	S4	C2	N6	124.322
H7	N5	H8	121.455	H9	N6	H10	121.455

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)