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	hartrees
Energy at 0K	-984.618768
Energy at 298.15K	-984.624809
HF Energy	-984.618768
Nuclear repulsion energy	336.794471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3674	3539	0.00
2	A_g	3457	3330	0.00
3	A_g	1654	1594	0.00
4	A_g	1443	1390	0.00
5	A_g	1327	1279	0.00
6	A_g	941	906	0.00
7	A_g	675	650	0.00
8	A_g	409	394	0.00
9	A_g	331	319	0.00
10	A_u	673	648	14.68
11	A_u	528	509	376.10
12	A_u	384	370	48.35
13	A_u	46	45	9.13
14	B_g	715	689	0.00
15	B_g	658	634	0.00
16	B_g	503	485	0.00
17	B_u	3676	3541	151.58
18	B_u	3461	3334	189.70
19	B_u	1624	1564	449.62
20	B_u	1430	1377	287.47
21	B_u	1242	1196	147.71
22	B_u	865	833	58.36
23	B_u	450	433	1.35
24	B_u	277	267	28.51

Atom	x (Å)	y (Å)
C1	-0.048	0.764
C2	0.048	-0.764
S3	1.301	1.746
S4	-1.301	-1.746
N5	-1.301	1.211
N6	1.301	-1.211
H7	-2.061	0.536
H8	-1.484	2.202
H9	2.061	-0.536
H10	1.484	-2.202

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5315	1.6684	2.8056	1.3300	2.3919	2.0259	2.0319	2.4774	3.3384
C2	1.5315		2.8056	1.6684	2.3919	1.3300	2.4774	3.3384	2.0259	2.0319
S3	1.6684	2.8056		4.3549	2.6560	2.9573	3.5732	2.8218	2.4050	3.9524
S4	2.8056	1.6684	4.3549		2.9573	2.6560	2.4050	3.9524	3.5732	2.8218
N5	1.3300	2.3919	2.6560	2.9573		3.5545	1.0170	1.0077	3.7884	4.4049
N6	2.3919	1.3300	2.9573	2.6560	3.5545		3.7884	4.4049	1.0170	1.0077
H7	2.0259	2.4774	3.5732	2.4050	1.0170	3.7884		1.7635	4.2589	4.4789
H8	2.0319	3.3384	2.8218	3.9524	1.0077	4.4049	1.7635		4.4789	5.3106
H9	2.4774	2.0259	2.4050	3.5732	3.7884	1.0170	4.2589	4.4789		1.7635
H10	3.3384	2.0319	3.9524	2.8218	4.4049	1.0077	4.4789	5.3106	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.455	C1	C2	N6	113.231
C1	N5	H7	118.746	C1	N5	H8	120.105
C2	C1	S3	122.455	C2	C1	N5	113.231
C2	N6	H9	118.746	C2	N6	H10	120.105
S3	C1	N5	124.314	S4	C2	N6	124.314
H7	N5	H8	121.148	H9	N6	H10	121.148

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/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	0.101
2	C	0.101
3	S	-0.169
4	S	-0.169
5	N	-0.717
6	N	-0.717
7	H	0.397
8	H	0.388
9	H	0.397
10	H	0.388

	x	y	z
x	14.809	3.382	0.000
y	3.382	13.769	0.000
z	0.000	0.000	4.501

<r²>	257.441
(<r²>)^1/2	16.045

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)