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	hartrees
Energy at 0K	-983.017977
Energy at 298.15K
HF Energy	-982.069813
Nuclear repulsion energy	335.827703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3713	3574
2	A_g	3552	3419
3	A_g	1679	1616
4	A_g	1454	1399
5	A_g	1351	1300
6	A_g	964	928
7	A_g	674	649
8	A_g	416	400
9	A_g	333	321
10	A_u	631	607
11	A_u	374	360
12	A_u	336	324
13	A_u	56i	54i
14	B_g	654	630
15	B_g	622	599
16	B_g	288	278
17	B_u	3715	3576
18	B_u	3556	3423
19	B_u	1652	1590
20	B_u	1434	1381
21	B_u	1246	1200
22	B_u	876	843
23	B_u	460	443
24	B_u	277	267

Atom	x (Å)	y (Å)
C1	-0.044	0.769
C2	0.044	-0.769
S3	1.301	1.752
S4	-1.301	-1.752
N5	-1.301	1.225
N6	1.301	-1.225
H7	-2.073	0.570
H8	-1.469	2.219
H9	2.073	-0.570
H10	1.469	-2.219

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5411	1.6663	2.8174	1.3369	2.4059	2.0383	2.0325	2.5055	3.3496
C2	1.5411		2.8174	1.6663	2.4059	1.3369	2.5055	3.3496	2.0383	2.0325
S3	1.6663	2.8174		4.3651	2.6550	2.9775	3.5750	2.8092	2.4476	3.9748
S4	2.8174	1.6663	4.3651		2.9775	2.6550	2.4476	3.9748	3.5750	2.8092
N5	1.3369	2.4059	2.6550	2.9775		3.5744	1.0122	1.0078	3.8221	4.4199
N6	2.4059	1.3369	2.9775	2.6550	3.5744		3.8221	4.4199	1.0122	1.0078
H7	2.0383	2.5055	3.5750	2.4476	1.0122	3.8221		1.7556	4.3000	4.5085
H8	2.0325	3.3496	2.8092	3.9748	1.0078	4.4199	1.7556		4.5085	5.3223
H9	2.5055	2.0383	2.4476	3.5750	3.8221	1.0122	4.3000	4.5085		1.7556
H10	3.3496	2.0325	3.9748	2.8092	4.4199	1.0078	4.5085	5.3223	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.854	C1	C2	N6	113.241
C1	N5	H7	119.750	C1	N5	H8	119.535
C2	C1	S3	122.854	C2	C1	N5	113.241
C2	N6	H9	119.750	C2	N6	H10	119.535
S3	C1	N5	123.905	S4	C2	N6	123.905
H7	N5	H8	120.715	H9	N6	H10	120.715

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

using model chemistry: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)