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	hartrees
Energy at 0K	-981.426632
Energy at 298.15K	-981.432757
HF Energy	-981.426632
Nuclear repulsion energy	339.360486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3604	3537	0.00
2	A_g	3240	3179	0.00
3	A_g	1613	1583	0.00
4	A_g	1381	1355	0.00
5	A_g	1301	1276	0.00
6	A_g	929	911	0.00
7	A_g	690	677	0.00
8	A_g	409	401	0.00
9	A_g	335	329	0.00
10	A_u	707	694	47.44
11	A_u	541	531	270.64
12	A_u	379	371	53.32
13	A_u	71	70	6.52
14	B_g	734	720	0.00
15	B_g	667	654	0.00
16	B_g	517	507	0.00
17	B_u	3607	3539	228.81
18	B_u	3253	3193	345.47
19	B_u	1557	1528	496.20
20	B_u	1408	1381	249.78
21	B_u	1196	1174	105.22
22	B_u	871	855	36.97
23	B_u	439	431	3.59
24	B_u	290	284	35.29

Atom	x (Å)	y (Å)
C1	-0.051	0.756
C2	0.051	-0.756
S3	1.302	1.721
S4	-1.302	-1.721
N5	-1.302	1.182
N6	1.302	-1.182
H7	-2.028	0.440
H8	-1.508	2.179
H9	2.028	-0.440
H10	1.508	-2.179

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5154	1.6622	2.7752	1.3218	2.3638	2.0017	2.0364	2.3982	3.3230
C2	1.5154		2.7752	1.6622	2.3638	1.3218	2.3982	3.3230	2.0017	2.0364
S3	1.6622	2.7752		4.3166	2.6596	2.9034	3.5678	2.8472	2.2799	3.9053
S4	2.7752	1.6622	4.3166		2.9034	2.6596	2.2799	3.9053	3.5678	2.8472
N5	1.3218	2.3638	2.6596	2.9034		3.5176	1.0378	1.0175	3.7041	4.3810
N6	2.3638	1.3218	2.9034	2.6596	3.5176		3.7041	4.3810	1.0378	1.0175
H7	2.0017	2.3982	3.5678	2.2799	1.0378	3.7041		1.8145	4.1498	4.3999
H8	2.0364	3.3230	2.8472	3.9053	1.0175	4.3810	1.8145		4.3999	5.2993
H9	2.3982	2.0017	2.2799	3.5678	3.7041	1.0378	4.1498	4.3999		1.8145
H10	3.3230	2.0364	3.9053	2.8472	4.3810	1.0175	4.3999	5.2993	1.8145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.642	C1	C2	N6	112.670
C1	N5	H7	115.540	C1	N5	H8	120.484
C2	C1	S3	121.642	C2	C1	N5	112.670
C2	N6	H9	115.540	C2	N6	H10	120.484
S3	C1	N5	125.688	S4	C2	N6	125.688
H7	N5	H8	123.976	H9	N6	H10	123.976

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.111
2	C	0.111
3	S	-0.192
4	S	-0.192
5	N	-0.539
6	N	-0.539
7	H	0.301
8	H	0.318
9	H	0.301
10	H	0.318

	x	y	z
x	14.098	2.945	0.000
y	2.945	13.052	0.000
z	0.000	0.000	4.583

<r²>	252.535
(<r²>)^1/2	15.891

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)