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	hartrees
Energy at 0K	-984.537039
Energy at 298.15K	-984.543100
HF Energy	-984.537039
Nuclear repulsion energy	336.632501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3685	3533	0.00
2	A_g	3436	3294	0.00
3	A_g	1639	1571	0.00
4	A_g	1439	1379	0.00
5	A_g	1324	1269	0.00
6	A_g	943	904	0.00
7	A_g	678	650	0.00
8	A_g	412	395	0.00
9	A_g	333	320	0.00
10	A_u	679	651	20.84
11	A_u	526	504	329.91
12	A_u	384	368	46.28
13	A_u	55	53	8.68
14	B_g	720	691	0.00
15	B_g	662	635	0.00
16	B_g	502	481	0.00
17	B_u	3687	3534	194.45
18	B_u	3443	3301	217.51
19	B_u	1599	1533	499.39
20	B_u	1438	1379	224.53
21	B_u	1233	1182	123.57
22	B_u	867	831	52.92
23	B_u	447	429	1.19
24	B_u	282	270	30.50

Atom	x (Å)	y (Å)
C1	-0.049	0.764
C2	0.049	-0.764
S3	1.304	1.745
S4	-1.304	-1.745
N5	-1.304	1.208
N6	1.304	-1.208
H7	-2.056	0.519
H8	-1.488	2.201
H9	2.056	-0.519
H10	1.488	-2.201

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5317	1.6708	2.8058	1.3311	2.3918	2.0220	2.0332	2.4649	3.3395
C2	1.5317		2.8058	1.6708	2.3918	1.3311	2.4649	3.3395	2.0220	2.0332
S3	1.6708	2.8058		4.3568	2.6620	2.9537	3.5765	2.8284	2.3856	3.9502
S4	2.8058	1.6708	4.3568		2.9537	2.6620	2.3856	3.9502	3.5765	2.8284
N5	1.3311	2.3918	2.6620	2.9537		3.5552	1.0206	1.0092	3.7775	4.4062
N6	2.3918	1.3311	2.9537	2.6620	3.5552		3.7775	4.4062	1.0206	1.0092
H7	2.0220	2.4649	3.5765	2.3856	1.0206	3.7775		1.7753	4.2406	4.4669
H8	2.0332	3.3395	2.8284	3.9502	1.0092	4.4062	1.7753		4.4669	5.3129
H9	2.4649	2.0220	2.3856	3.5765	3.7775	1.0206	4.2406	4.4669		1.7753
H10	3.3395	2.0332	3.9502	2.8284	4.4062	1.0092	4.4669	5.3129	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.299	C1	C2	N6	113.145
C1	N5	H7	117.990	C1	N5	H8	120.006
C2	C1	S3	122.299	C2	C1	N5	113.145
C2	N6	H9	117.990	C2	N6	H10	120.006
S3	C1	N5	124.556	S4	C2	N6	124.556
H7	N5	H8	122.004	H9	N6	H10	122.004

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/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	0.119
2	C	0.119
3	S	-0.206
4	S	-0.206
5	N	-0.549
6	N	-0.549
7	H	0.318
8	H	0.318
9	H	0.318
10	H	0.318

	x	y	z
x	14.168	3.160	0.000
y	3.160	12.754	0.000
z	0.000	0.000	4.565

<r²>	257.001
(<r²>)^1/2	16.031

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)