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	hartrees
Energy at 0K	-984.442921
Energy at 298.15K	-984.449104
HF Energy	-984.442921
Nuclear repulsion energy	338.481270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3736	3736	0.00
2	A_g	3528	3528	0.00
3	A_g	1649	1649	0.00
4	A_g	1456	1456	0.00
5	A_g	1349	1349	0.00
6	A_g	965	965	0.00
7	A_g	685	685	0.00
8	A_g	414	414	0.00
9	A_g	336	336	0.00
10	A_u	679	679	11.72
11	A_u	564	564	267.15
12	A_u	397	397	41.77
13	A_u	54	54	11.06
14	B_g	743	743	0.00
15	B_g	671	671	0.00
16	B_g	535	535	0.00
17	B_u	3738	3738	227.69
18	B_u	3536	3536	246.56
19	B_u	1607	1607	552.18
20	B_u	1458	1458	281.61
21	B_u	1243	1243	139.07
22	B_u	889	889	63.23
23	B_u	456	456	0.80
24	B_u	282	282	32.29

Atom	x (Å)	y (Å)
C1	-0.049	0.766
C2	0.049	-0.766
S3	1.294	1.734
S4	-1.294	-1.734
N5	-1.294	1.211
N6	1.294	-1.211
H7	-2.048	0.532
H8	-1.471	2.201
H9	2.048	-0.532
H10	1.471	-2.201

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5348	1.6555	2.7929	1.3226	2.3901	2.0129	2.0206	2.4663	3.3335
C2	1.5348		2.7929	1.6555	2.3901	1.3226	2.4663	3.3335	2.0129	2.0206
S3	1.6555	2.7929		4.3274	2.6405	2.9453	3.5517	2.8045	2.3885	3.9389
S4	2.7929	1.6555	4.3274		2.9453	2.6405	2.3885	3.9389	3.5517	2.8045
N5	1.3226	2.3901	2.6405	2.9453		3.5451	1.0146	1.0053	3.7697	4.3920
N6	2.3901	1.3226	2.9453	2.6405	3.5451		3.7697	4.3920	1.0146	1.0053
H7	2.0129	2.4663	3.5517	2.3885	1.0146	3.7697		1.7654	4.2323	4.4561
H8	2.0206	3.3335	2.8045	3.9389	1.0053	4.3920	1.7654		4.4561	5.2947
H9	2.4663	2.0129	2.3885	3.5517	3.7697	1.0146	4.2323	4.4561		1.7654
H10	3.3335	2.0206	3.9389	2.8045	4.3920	1.0053	4.4561	5.2947	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.144	C1	C2	N6	113.327
C1	N5	H7	118.319	C1	N5	H8	119.832
C2	C1	S3	122.144	C2	C1	N5	113.327
C2	N6	H9	118.319	C2	N6	H10	119.832
S3	C1	N5	124.529	S4	C2	N6	124.529
H7	N5	H8	121.848	H9	N6	H10	121.848

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.294
2	C	0.294
3	S	-0.425
4	S	-0.425
5	N	-0.504
6	N	-0.504
7	H	0.319
8	H	0.316
9	H	0.319
10	H	0.316

	x	y	z
x	14.321	2.945	0.000
y	2.945	12.885	0.000
z	0.000	0.000	5.784

<r²>	254.531
(<r²>)^1/2	15.954

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)