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	hartrees
Energy at 0K	-972.631659
Energy at 298.15K
HF Energy	-972.517569
Nuclear repulsion energy	336.292869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3889	3889	0.00
2	A_g	3340	3340	0.00
3	A_g	1715	1715	0.00
4	A_g	1434	1434	0.00
5	A_g	1342	1342	0.00
6	A_g	1003	1003	0.00
7	A_g	715	715	0.00
8	A_g	442	442	0.00
9	A_g	256	256	0.00
10	A_u	841	841	57.93
11	A_u	385	385	3.18
12	A_u	193	193	147.63
13	A_u	197i	197i	233.50
14	B_g	850	850	0.00
15	B_g	680	680	0.00
16	B_g	204i	204i	0.00
17	B_u	3889	3889	156.02
18	B_u	3389	3389	498.70
19	B_u	1605	1605	442.71
20	B_u	1550	1550	178.57
21	B_u	1284	1284	39.33
22	B_u	964	964	21.66
23	B_u	449	449	6.77
24	B_u	285	285	75.82

Atom	x (Å)	y (Å)
C1	-0.024	0.785
C2	0.024	-0.785
S3	1.352	1.689
S4	-1.352	-1.689
N5	-1.352	1.163
N6	1.352	-1.163
H7	-1.994	0.317
H8	-1.681	2.145
H9	1.994	-0.317
H10	1.681	-2.145

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5709	1.6458	2.8080	1.3806	2.3845	2.0251	2.1434	2.2993	3.3895
C2	1.5709		2.8080	1.6458	2.3845	1.3806	2.2993	3.3895	2.0251	2.1434
S3	1.6458	2.8080		4.3266	2.7539	2.8520	3.6159	3.0664	2.1068	3.8479
S4	2.8080	1.6458	4.3266		2.8520	2.7539	2.1068	3.8479	3.6159	3.0664
N5	1.3806	2.3845	2.7539	2.8520		3.5660	1.0619	1.0355	3.6585	4.4872
N6	2.3845	1.3806	2.8520	2.7539	3.5660		3.6585	4.4872	1.0619	1.0355
H7	2.0251	2.2993	3.6159	2.1068	1.0619	3.6585		1.8540	4.0383	4.4233
H8	2.1434	3.3895	3.0664	3.8479	1.0355	4.4872	1.8540		4.4233	5.4496
H9	2.2993	2.0251	2.1068	3.6159	3.6585	1.0619	4.0383	4.4233		1.8540
H10	3.3895	2.1434	3.8479	3.0664	4.4872	1.0355	4.4233	5.4496	1.8540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.586	C1	C2	N6	107.613
C1	N5	H7	111.346	C1	N5	H8	124.418
C2	C1	S3	121.586	C2	C1	N5	107.613
C2	N6	H9	111.346	C2	N6	H10	124.418
S3	C1	N5	130.801	S4	C2	N6	130.801
H7	N5	H8	124.237	H9	N6	H10	124.237

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)