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	hartrees
Energy at 0K	-984.515561
Energy at 298.15K	-984.521437
HF Energy	-984.515561
Nuclear repulsion energy	335.850173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3627	3575	0.00
2	A_g	3387	3338	0.00
3	A_g	1593	1571	0.00
4	A_g	1402	1382	0.00
5	A_g	1285	1266	0.00
6	A_g	913	900	0.00
7	A_g	664	654	0.00
8	A_g	410	404	0.00
9	A_g	329	324	0.00
10	A_u	647	637	12.06
11	A_u	475	468	274.21
12	A_u	370	365	76.83
13	A_u	36	35	7.35
14	B_g	691	681	0.00
15	B_g	636	627	0.00
16	B_g	446	440	0.00
17	B_u	3629	3577	170.34
18	B_u	3392	3343	211.71
19	B_u	1559	1537	438.49
20	B_u	1392	1372	240.20
21	B_u	1212	1195	122.62
22	B_u	849	836	51.47
23	B_u	452	446	1.50
24	B_u	275	271	27.44

Atom	x (Å)	y (Å)
C1	-0.049	0.766
C2	0.049	-0.766
S3	1.304	1.750
S4	-1.304	-1.750
N5	-1.304	1.219
N6	1.304	-1.219
H7	-2.063	0.538
H8	-1.478	2.213
H9	2.063	-0.538
H10	1.478	-2.213

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5352	1.6727	2.8120	1.3351	2.4025	2.0272	2.0345	2.4813	3.3479
C2	1.5352		2.8120	1.6727	2.4025	1.3351	2.4813	3.3479	2.0272	2.0345
S3	1.6727	2.8120		4.3651	2.6619	2.9694	3.5787	2.8210	2.4099	3.9671
S4	2.8120	1.6727	4.3651		2.9694	2.6619	2.4099	3.9671	3.5787	2.8210
N5	1.3351	2.4025	2.6619	2.9694		3.5710	1.0200	1.0091	3.7979	4.4190
N6	2.4025	1.3351	2.9694	2.6619	3.5710		3.7979	4.4190	1.0200	1.0091
H7	2.0272	2.4813	3.5787	2.4099	1.0200	3.7979		1.7748	4.2633	4.4841
H8	2.0345	3.3479	2.8210	3.9671	1.0091	4.4190	1.7748		4.4841	5.3234
H9	2.4813	2.0272	2.4099	3.5787	3.7979	1.0200	4.2633	4.4841		1.7748
H10	3.3479	2.0345	3.9671	2.8210	4.4190	1.0091	4.4841	5.3234	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.292	C1	C2	N6	113.577
C1	N5	H7	117.992	C1	N5	H8	119.807
C2	C1	S3	122.292	C2	C1	N5	113.577
C2	N6	H9	117.992	C2	N6	H10	119.807
S3	C1	N5	124.131	S4	C2	N6	124.131
H7	N5	H8	122.201	H9	N6	H10	122.201

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B97D3/6-311G**

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	-0.003
2	C	-0.003
3	S	-0.170
4	S	-0.170
5	N	-0.342
6	N	-0.342
7	H	0.257
8	H	0.259
9	H	0.257
10	H	0.259

	x	y	z
x	15.119	3.425	0.000
y	3.425	14.430	0.000
z	0.000	0.000	4.632

<r²>	258.631
(<r²>)^1/2	16.082

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)