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	hartrees
Energy at 0K	-984.613842
Energy at 298.15K	-984.619905
HF Energy	-984.613842
Nuclear repulsion energy	336.342337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3687	3563	0.00
2	A_g	3497	3379	0.00
3	A_g	1659	1603	0.00
4	A_g	1445	1396	0.00
5	A_g	1327	1283	0.00
6	A_g	941	909	0.00
7	A_g	674	651	0.00
8	A_g	416	402	0.00
9	A_g	333	322	0.00
10	A_u	661	638	12.63
11	A_u	540	522	381.00
12	A_u	389	376	51.30
13	A_u	40	39	9.79
14	B_g	716	692	0.00
15	B_g	653	631	0.00
16	B_g	513	496	0.00
17	B_u	3689	3565	160.51
18	B_u	3501	3383	192.66
19	B_u	1630	1576	451.49
20	B_u	1425	1377	310.24
21	B_u	1247	1205	150.41
22	B_u	863	833	69.42
23	B_u	462	446	1.24
24	B_u	279	269	25.85

Atom	x (Å)	y (Å)
C1	-0.050	0.766
C2	0.050	-0.766
S3	1.299	1.752
S4	-1.299	-1.752
N5	-1.299	1.220
N6	1.299	-1.220
H7	-2.068	0.559
H8	-1.471	2.212
H9	2.068	-0.559
H10	1.471	-2.212

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5346	1.6703	2.8105	1.3290	2.4000	2.0287	2.0277	2.4974	3.3434
C2	1.5346		2.8105	1.6703	2.4000	1.3290	2.4974	3.3434	2.0287	2.0277
S3	1.6703	2.8105		4.3615	2.6509	2.9720	3.5713	2.8072	2.4355	3.9678
S4	2.8105	1.6703	4.3615		2.9720	2.6509	2.4355	3.9678	3.5713	2.8072
N5	1.3290	2.4000	2.6509	2.9720		3.5634	1.0142	1.0069	3.8073	4.4099
N6	2.4000	1.3290	2.9720	2.6509	3.5634		3.8073	4.4099	1.0142	1.0069
H7	2.0287	2.4974	3.5713	2.4355	1.0142	3.8073		1.7576	4.2836	4.4942
H8	2.0277	3.3434	2.8072	3.9678	1.0069	4.4099	1.7576		4.4942	5.3127
H9	2.4974	2.0287	2.4355	3.5713	3.8073	1.0142	4.2836	4.4942		1.7576
H10	3.3434	2.0277	3.9678	2.8072	4.4099	1.0069	4.4942	5.3127	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.492	C1	C2	N6	113.687
C1	N5	H7	119.332	C1	N5	H8	119.834
C2	C1	S3	122.492	C2	C1	N5	113.687
C2	N6	H9	119.332	C2	N6	H10	119.834
S3	C1	N5	123.822	S4	C2	N6	123.822
H7	N5	H8	120.834	H9	N6	H10	120.834

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B3LYP/6-311G*

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	0.100
2	C	0.100
3	S	-0.173
4	S	-0.173
5	N	-0.710
6	N	-0.710
7	H	0.396
8	H	0.387
9	H	0.396
10	H	0.387

	x	y	z
x	14.918	3.467	0.000
y	3.467	13.846	0.000
z	0.000	0.000	4.508

<r²>	258.540
(<r²>)^1/2	16.079

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)