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	hartrees
Energy at 0K	-981.519783
Energy at 298.15K	-981.525899
HF Energy	-981.519783
Nuclear repulsion energy	339.558142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3584	3525	0.00
2	A_g	3278	3225	0.00
3	A_g	1608	1582	0.00
4	A_g	1409	1386	0.00
5	A_g	1302	1281	0.00
6	A_g	926	911	0.00
7	A_g	687	676	0.00
8	A_g	406	400	0.00
9	A_g	335	330	0.00
10	A_u	692	681	48.33
11	A_u	551	542	317.73
12	A_u	380	374	57.62
13	A_u	61	60	7.29
14	B_g	723	712	0.00
15	B_g	658	648	0.00
16	B_g	528	519	0.00
17	B_u	3586	3528	191.51
18	B_u	3287	3234	296.14
19	B_u	1558	1533	530.95
20	B_u	1421	1398	235.62
21	B_u	1210	1190	132.53
22	B_u	870	855	43.26
23	B_u	446	438	4.37
24	B_u	286	281	31.26

Atom	x (Å)	y (Å)
C1	-0.050	0.755
C2	0.050	-0.755
S3	1.297	1.724
S4	-1.297	-1.724
N5	-1.297	1.187
N6	1.297	-1.187
H7	-2.039	0.469
H8	-1.498	2.184
H9	2.039	-0.469
H10	1.498	-2.184

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5142	1.6591	2.7749	1.3193	2.3642	2.0093	2.0336	2.4217	3.3220
C2	1.5142		2.7749	1.6591	2.3642	1.3193	2.4217	3.3220	2.0093	2.0336
S3	1.6591	2.7749		4.3142	2.6489	2.9109	3.5642	2.8326	2.3147	3.9125
S4	2.7749	1.6591	4.3142		2.9109	2.6489	2.3147	3.9125	3.5642	2.8326
N5	1.3193	2.3642	2.6489	2.9109		3.5167	1.0329	1.0165	3.7245	4.3790
N6	2.3642	1.3193	2.9109	2.6489	3.5167		3.7245	4.3790	1.0329	1.0165
H7	2.0093	2.4217	3.5642	2.3147	1.0329	3.7245		1.7982	4.1845	4.4212
H8	2.0336	3.3220	2.8326	3.9125	1.0165	4.3790	1.7982		4.4212	5.2963
H9	2.4217	2.0093	2.3147	3.5642	3.7245	1.0329	4.1845	4.4212		1.7982
H10	3.3220	2.0336	3.9125	2.8326	4.3790	1.0165	4.4212	5.2963	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.888	C1	C2	N6	112.920
C1	N5	H7	116.820	C1	N5	H8	120.511
C2	C1	S3	121.888	C2	C1	N5	112.920
C2	N6	H9	116.820	C2	N6	H10	120.511
S3	C1	N5	125.192	S4	C2	N6	125.192
H7	N5	H8	122.669	H9	N6	H10	122.669

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: LSDA/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	0.053
2	C	0.053
3	S	-0.122
4	S	-0.122
5	N	-0.724
6	N	-0.724
7	H	0.394
8	H	0.399
9	H	0.394
10	H	0.399

	x	y	z
x	14.932	3.235	0.000
y	3.235	14.289	0.000
z	0.000	0.000	4.561

<r²>	253.132
(<r²>)^1/2	15.910

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)