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	hartrees
Energy at 0K	-982.890924
Energy at 298.15K
HF Energy	-981.983675
Nuclear repulsion energy	335.574588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3680	3531
2	A_g	3512	3370
3	A_g	1665	1597
4	A_g	1459	1399
5	A_g	1356	1301
6	A_g	969	930
7	A_g	678	651
8	A_g	426	409
9	A_g	340	326
10	A_u	655	628
11	A_u	475	455
12	A_u	383	368
13	A_u	11i	10i
14	B_g	699	670
15	B_g	646	619
16	B_g	453	434
17	B_u	3681	3532
18	B_u	3518	3375
19	B_u	1630	1564
20	B_u	1447	1388
21	B_u	1249	1198
22	B_u	873	837
23	B_u	462	443
24	B_u	288	277

Atom	x (Å)	y (Å)
C1	-0.045	0.767
C2	0.045	-0.767
S3	1.302	1.754
S4	-1.302	-1.754
N5	-1.302	1.223
N6	1.302	-1.223
H7	-2.076	0.560
H8	-1.470	2.223
H9	2.076	-0.560
H10	1.470	-2.223

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5364	1.6699	2.8174	1.3373	2.4026	2.0416	2.0370	2.5016	3.3512
C2	1.5364		2.8174	1.6699	2.4026	1.3373	2.5016	3.3512	2.0416	2.0370
S3	1.6699	2.8174		4.3695	2.6576	2.9773	3.5827	2.8108	2.4405	3.9806
S4	2.8174	1.6699	4.3695		2.9773	2.6576	2.4405	3.9806	3.5827	2.8108
N5	1.3373	2.4026	2.6576	2.9773		3.5723	1.0189	1.0137	3.8195	4.4218
N6	2.4026	1.3373	2.9773	2.6576	3.5723		3.8195	4.4218	1.0189	1.0137
H7	2.0416	2.5016	3.5827	2.4405	1.0189	3.8195		1.7696	4.3001	4.5071
H8	2.0370	3.3512	2.8108	3.9806	1.0137	4.4218	1.7696		4.5071	5.3290
H9	2.5016	2.0416	2.4405	3.5827	3.8195	1.0189	4.3001	4.5071		1.7696
H10	3.3512	2.0370	3.9806	2.8108	4.4218	1.0137	4.5071	5.3290	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.915	C1	C2	N6	113.271
C1	N5	H7	119.492	C1	N5	H8	119.452
C2	C1	S3	122.915	C2	C1	N5	113.271
C2	N6	H9	119.492	C2	N6	H10	119.452
S3	C1	N5	123.814	S4	C2	N6	123.814
H7	N5	H8	121.056	H9	N6	H10	121.056

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD(T)/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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)