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	hartrees
Energy at 0K	-982.911121
Energy at 298.15K
HF Energy	-982.007039
Nuclear repulsion energy	336.317880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3778	3572	0.00
2	A_g	3604	3407	0.00
3	A_g	1676	1585	0.00
4	A_g	1453	1374	0.00
5	A_g	1371	1297	0.00
6	A_g	980	926	0.00
7	A_g	683	646	0.00
8	A_g	424	401	0.00
9	A_g	339	321	0.00
10	A_u	626	592	3.60
11	A_u	368	348	131.04
12	A_u	288	273	249.64
13	A_u	87i	82i	1.45
14	B_g	625	591	0.00
15	B_g	588	556	0.00
16	B_g	123	117	0.00
17	B_u	3779	3573	202.01
18	B_u	3610	3413	247.55
19	B_u	1648	1558	466.92
20	B_u	1437	1359	445.50
21	B_u	1253	1184	129.57
22	B_u	880	832	65.43
23	B_u	467	442	0.54
24	B_u	283	268	20.19

Atom	x (Å)	y (Å)
C1	-0.044	0.767
C2	0.044	-0.767
S3	1.300	1.748
S4	-1.300	-1.748
N5	-1.300	1.225
N6	1.300	-1.225
H7	-2.069	0.568
H8	-1.467	2.217
H9	2.069	-0.568
H10	1.467	-2.217

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5364	1.6642	2.8112	1.3363	2.4026	2.0343	2.0314	2.4994	3.3447
C2	1.5364		2.8112	1.6642	2.4026	1.3363	2.4994	3.3447	2.0343	2.0314
S3	1.6642	2.8112		4.3572	2.6518	2.9729	3.5694	2.8062	2.4406	3.9687
S4	2.8112	1.6642	4.3572		2.9729	2.6518	2.4406	3.9687	3.5694	2.8062
N5	1.3363	2.4026	2.6518	2.9729		3.5716	1.0112	1.0063	3.8158	4.4157
N6	2.4026	1.3363	2.9729	2.6518	3.5716		3.8158	4.4157	1.0112	1.0063
H7	2.0343	2.4994	3.5694	2.4406	1.0112	3.8158		1.7553	4.2907	4.5008
H8	2.0314	3.3447	2.8062	3.9687	1.0063	4.4157	1.7553		4.5008	5.3166
H9	2.4994	2.0343	2.4406	3.5694	3.8158	1.0112	4.2907	4.5008		1.7553
H10	3.3447	2.0314	3.9687	2.8062	4.4157	1.0063	4.5008	5.3166	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.835	C1	C2	N6	113.328
C1	N5	H7	119.481	C1	N5	H8	119.592
C2	C1	S3	122.835	C2	C1	N5	113.328
C2	N6	H9	119.481	C2	N6	H10	119.592
S3	C1	N5	123.836	S4	C2	N6	123.836
H7	N5	H8	120.927	H9	N6	H10	120.927

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)