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	hartrees
Energy at 0K	-972.631636
Energy at 298.15K
HF Energy	-972.517532
Nuclear repulsion energy	336.294855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3888	3888	0.00
2	A_g	3338	3338	0.00
3	A_g	1716	1716	0.00
4	A_g	1433	1433	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	58.19
11	A_u	384	384	3.17
12	A_u	193	193	146.66
13	A_u	198i	198i	234.07
14	B_g	851	851	0.00
15	B_g	680	680	0.00
16	B_g	205i	205i	0.00
17	B_u	3888	3888	156.26
18	B_u	3388	3388	500.05
19	B_u	1605	1605	443.01
20	B_u	1550	1550	179.40
21	B_u	1283	1283	38.97
22	B_u	964	964	21.64
23	B_u	449	449	6.88
24	B_u	286	286	75.77

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	2.144
H9	1.994	-0.317
H10	1.681	-2.144

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5709	1.6459	2.8079	1.3805	2.3845	2.0250	2.1435	2.2990	3.3895
C2	1.5709		2.8079	1.6459	2.3845	1.3805	2.2990	3.3895	2.0250	2.1435
S3	1.6459	2.8079		4.3265	2.7542	2.8516	3.6161	3.0669	2.1061	3.8475
S4	2.8079	1.6459	4.3265		2.8516	2.7542	2.1061	3.8475	3.6161	3.0669
N5	1.3805	2.3845	2.7542	2.8516		3.5659	1.0620	1.0355	3.6581	4.4872
N6	2.3845	1.3805	2.8516	2.7542	3.5659		3.6581	4.4872	1.0620	1.0355
H7	2.0250	2.2990	3.6161	2.1061	1.0620	3.6581		1.8541	4.0378	4.4231
H8	2.1435	3.3895	3.0669	3.8475	1.0355	4.4872	1.8541		4.4231	5.4497
H9	2.2990	2.0250	2.1061	3.6161	3.6581	1.0620	4.0378	4.4231		1.8541
H10	3.3895	2.1435	3.8475	3.0669	4.4872	1.0355	4.4231	5.4497	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.572	C1	C2	N6	107.611
C1	N5	H7	111.334	C1	N5	H8	124.426
C2	C1	S3	121.572	C2	C1	N5	107.611
C2	N6	H9	111.334	C2	N6	H10	124.426
S3	C1	N5	130.817	S4	C2	N6	130.817
H7	N5	H8	124.240	H9	N6	H10	124.240

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)