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	hartrees
Energy at 0K	-984.554794
Energy at 298.15K	-984.560868
HF Energy	-984.554794
Nuclear repulsion energy	337.689875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3675	3547	0.00
2	A_g	3424	3304	0.00
3	A_g	1621	1565	0.00
4	A_g	1433	1383	0.00
5	A_g	1319	1273	0.00
6	A_g	941	908	0.00
7	A_g	677	653	0.00
8	A_g	406	392	0.00
9	A_g	331	320	0.00
10	A_u	686	662	14.66
11	A_u	525	507	239.55
12	A_u	387	373	47.85
13	A_u	56	54	8.82
14	B_g	729	703	0.00
15	B_g	670	646	0.00
16	B_g	498	481	0.00
17	B_u	3677	3549	193.11
18	B_u	3432	3311	229.74
19	B_u	1583	1528	474.05
20	B_u	1434	1384	237.38
21	B_u	1227	1184	118.36
22	B_u	867	837	48.51
23	B_u	441	425	0.89
24	B_u	282	272	31.50

Atom	x (Å)	y (Å)
C1	-0.049	0.763
C2	0.049	-0.763
S3	1.302	1.736
S4	-1.302	-1.736
N5	-1.302	1.205
N6	1.302	-1.205
H7	-2.048	0.510
H8	-1.490	2.194
H9	2.048	-0.510
H10	1.490	-2.194

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5295	1.6642	2.7955	1.3284	2.3866	2.0152	2.0310	2.4530	3.3339
C2	1.5295		2.7955	1.6642	2.3866	1.3284	2.4530	3.3339	2.0152	2.0310
S3	1.6642	2.7955		4.3392	2.6571	2.9403	3.5669	2.8289	2.3664	3.9347
S4	2.7955	1.6642	4.3392		2.9403	2.6571	2.3664	3.9347	3.5669	2.8289
N5	1.3284	2.3866	2.6571	2.9403		3.5470	1.0195	1.0076	3.7629	4.3984
N6	2.3866	1.3284	2.9403	2.6571	3.5470		3.7629	4.3984	1.0195	1.0076
H7	2.0152	2.4530	3.5669	2.3664	1.0195	3.7629		1.7746	4.2210	4.4530
H8	2.0310	3.3339	2.8289	3.9347	1.0076	4.3984	1.7746		4.4530	5.3048
H9	2.4530	2.0152	2.3664	3.5669	3.7629	1.0195	4.2210	4.4530		1.7746
H10	3.3339	2.0310	3.9347	2.8289	4.3984	1.0076	4.4530	5.3048	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.102	C1	C2	N6	113.061
C1	N5	H7	117.648	C1	N5	H8	120.160
C2	C1	S3	122.102	C2	C1	N5	113.061
C2	N6	H9	117.648	C2	N6	H10	120.160
S3	C1	N5	124.836	S4	C2	N6	124.836
H7	N5	H8	122.192	H9	N6	H10	122.192

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/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	0.286
2	C	0.286
3	S	-0.397
4	S	-0.397
5	N	-0.513
6	N	-0.513
7	H	0.314
8	H	0.309
9	H	0.314
10	H	0.309

	x	y	z
x	14.444	2.925	0.000
y	2.925	13.451	0.000
z	0.000	0.000	5.800

<r²>	255.307
(<r²>)^1/2	15.978

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)