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	hartrees
Energy at 0K	-984.358146
Energy at 298.15K	-984.364243
HF Energy	-984.358146
Nuclear repulsion energy	337.522434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3707	3510	0.00
2	A_g	3508	3322	0.00
3	A_g	1680	1591	0.00
4	A_g	1472	1394	0.00
5	A_g	1357	1285	0.00
6	A_g	971	920	0.00
7	A_g	688	652	0.00
8	A_g	427	404	0.00
9	A_g	340	322	0.00
10	A_u	651	616	2.72
11	A_u	542	513	401.46
12	A_u	389	369	47.91
13	A_u	43	41	11.34
14	B_g	722	684	0.00
15	B_g	647	613	0.00
16	B_g	512	485	0.00
17	B_u	3708	3511	220.47
18	B_u	3515	3329	273.84
19	B_u	1641	1554	579.10
20	B_u	1471	1393	298.91
21	B_u	1248	1182	150.07
22	B_u	892	844	74.88
23	B_u	466	441	0.96
24	B_u	293	278	24.64

Atom	x (Å)	y (Å)
C1	-0.048	0.767
C2	0.048	-0.767
S3	1.295	1.742
S4	-1.295	-1.742
N5	-1.295	1.217
N6	1.295	-1.217
H7	-2.066	0.554
H8	-1.463	2.212
H9	2.066	-0.554
H10	1.463	-2.212

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5361	1.6594	2.8018	1.3257	2.3946	2.0293	2.0234	2.4918	3.3401
C2	1.5361		2.8018	1.6594	2.3946	1.3257	2.4918	3.3401	2.0293	2.0234
S3	1.6594	2.8018		4.3413	2.6419	2.9590	3.5642	2.7976	2.4223	3.9583
S4	2.8018	1.6594	4.3413		2.9590	2.6419	2.4223	3.9583	3.5642	2.7976
N5	1.3257	2.3946	2.6419	2.9590		3.5530	1.0168	1.0098	3.7981	4.4003
N6	2.3946	1.3257	2.9590	2.6419	3.5530		3.7981	4.4003	1.0168	1.0098
H7	2.0293	2.4918	3.5642	2.4223	1.0168	3.7981		1.7644	4.2772	4.4838
H8	2.0234	3.3401	2.7976	3.9583	1.0098	4.4003	1.7644		4.4838	5.3048
H9	2.4918	2.0293	2.4223	3.5642	3.7981	1.0168	4.2772	4.4838		1.7644
H10	3.3401	2.0234	3.9583	2.7976	4.4003	1.0098	4.4838	5.3048	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.470	C1	C2	N6	113.398
C1	N5	H7	119.475	C1	N5	H8	119.469
C2	C1	S3	122.470	C2	C1	N5	113.398
C2	N6	H9	119.475	C2	N6	H10	119.469
S3	C1	N5	124.132	S4	C2	N6	124.132
H7	N5	H8	121.056	H9	N6	H10	121.056

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: M06-2X/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	0.139
2	C	0.139
3	S	-0.211
4	S	-0.211
5	N	-0.724
6	N	-0.724
7	H	0.404
8	H	0.392
9	H	0.404
10	H	0.392

	x	y	z
x	14.225	3.276	0.000
y	3.276	12.077	0.000
z	0.000	0.000	4.555

<r²>	256.148
(<r²>)^1/2	16.005

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)