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	hartrees
Energy at 0K	-982.003450
Energy at 298.15K	-982.009909
HF Energy	-982.003450
Nuclear repulsion energy	338.555541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3942	3558	0.00
2	A_g	3775	3407	0.00
3	A_g	1807	1631	0.00
4	A_g	1553	1402	0.00
5	A_g	1479	1335	0.00
6	A_g	1052	950	0.00
7	A_g	717	647	0.00
8	A_g	452	408	0.00
9	A_g	355	321	0.00
10	A_u	710	641	0.00
11	A_u	658	594	481.63
12	A_u	428	386	23.07
13	A_u	13	12	16.37
14	B_g	795	718	0.00
15	B_g	707	638	0.00
16	B_g	628	566	0.00
17	B_u	3943	3559	260.76
18	B_u	3781	3413	304.73
19	B_u	1777	1604	583.39
20	B_u	1533	1384	547.07
21	B_u	1352	1221	217.36
22	B_u	913	824	183.15
23	B_u	503	454	1.09
24	B_u	303	274	28.65

Atom	x (Å)	y (Å)
C1	-0.054	0.769
C2	0.054	-0.769
S3	1.285	1.748
S4	-1.285	-1.748
N5	-1.285	1.217
N6	1.285	-1.217
H7	-2.052	0.577
H8	-1.443	2.198
H9	2.052	-0.577
H10	1.443	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5414	1.6594	2.8018	1.3097	2.3950	2.0065	1.9925	2.4996	3.3232
C2	1.5414		2.8018	1.6594	2.3950	1.3097	2.4996	3.3232	2.0065	1.9925
S3	1.6594	2.8018		4.3395	2.6247	2.9648	3.5364	2.7648	2.4487	3.9493
S4	2.8018	1.6594	4.3395		2.9648	2.6247	2.4487	3.9493	3.5364	2.7648
N5	1.3097	2.3950	2.6247	2.9648		3.5393	0.9981	0.9940	3.7886	4.3705
N6	2.3950	1.3097	2.9648	2.6247	3.5393		3.7886	4.3705	0.9981	0.9940
H7	2.0065	2.4996	3.5364	2.4487	0.9981	3.7886		1.7312	4.2629	4.4626
H8	1.9925	3.3232	2.7648	3.9493	0.9940	4.3705	1.7312		4.4626	5.2584
H9	2.4996	2.0065	2.4487	3.5364	3.7886	0.9981	4.2629	4.4626		1.7312
H10	3.3232	1.9925	3.9493	2.7648	4.3705	0.9940	4.4626	5.2584	1.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.124	C1	C2	N6	114.042
C1	N5	H7	120.186	C1	N5	H8	119.118
C2	C1	S3	122.124	C2	C1	N5	114.042
C2	N6	H9	120.186	C2	N6	H10	119.118
S3	C1	N5	123.834	S4	C2	N6	123.834
H7	N5	H8	120.695	H9	N6	H10	120.695

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HF/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	0.187
2	C	0.187
3	S	-0.256
4	S	-0.256
5	N	-0.641
6	N	-0.641
7	H	0.362
8	H	0.349
9	H	0.362
10	H	0.349

	x	y	z
x	13.495	3.263	0.000
y	3.263	11.207	0.000
z	0.000	0.000	4.523

<r²>	256.300
(<r²>)^1/2	16.009

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)