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	hartrees
Energy at 0K	-982.396460
Energy at 298.15K	-982.402812
HF Energy	-981.861109
Nuclear repulsion energy	330.786588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3733	3733	0.00
2	A_g	3564	3564	0.00
3	A_g	1736	1736	0.00
4	A_g	1493	1493	0.00
5	A_g	1397	1397	0.00
6	A_g	989	989	0.00
7	A_g	679	679	0.00
8	A_g	431	431	0.00
9	A_g	342	342	0.00
10	A_u	763	763	629.16
11	A_u	645	645	1.46
12	A_u	395	395	21.16
13	A_u	37	37	15.51
14	B_g	765	765	0.00
15	B_g	703	703	0.00
16	B_g	639	639	0.00
17	B_u	3734	3734	149.22
18	B_u	3571	3571	262.37
19	B_u	1718	1718	451.18
20	B_u	1473	1473	481.69
21	B_u	1304	1304	134.87
22	B_u	838	838	115.50
23	B_u	476	476	1.70
24	B_u	287	287	23.59

Atom	x (Å)	y (Å)
C1	-0.063	0.759
C2	0.063	-0.759
S3	1.319	1.798
S4	-1.319	-1.798
N5	-1.319	1.222
N6	1.319	-1.222
H7	-2.101	0.575
H8	-1.485	2.218
H9	2.101	-0.575
H10	1.485	-2.218

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5241	1.7289	2.8488	1.3387	2.4164	2.0459	2.0367	2.5424	3.3558
C2	1.5241		2.8488	1.7289	2.4164	1.3387	2.5424	3.3558	2.0459	2.0367
S3	1.7289	2.8488		4.4594	2.7005	3.0200	3.6320	2.8354	2.4981	4.0189
S4	2.8488	1.7289	4.4594		3.0200	2.7005	2.4981	4.0189	3.6320	2.8354
N5	1.3387	2.4164	2.7005	3.0200		3.5972	1.0148	1.0092	3.8637	4.4384
N6	2.4164	1.3387	3.0200	2.7005	3.5972		3.8637	4.4384	1.0148	1.0092
H7	2.0459	2.5424	3.6320	2.4981	1.0148	3.8637		1.7545	4.3562	4.5450
H8	2.0367	3.3558	2.8354	4.0189	1.0092	4.4384	1.7545		4.5450	5.3381
H9	2.5424	2.0459	2.4981	3.6320	3.8637	1.0148	4.3562	4.5450		1.7545
H10	3.3558	2.0367	4.0189	2.8354	4.4384	1.0092	4.5450	5.3381	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.145	C1	C2	N6	114.993
C1	N5	H7	120.129	C1	N5	H8	119.673
C2	C1	S3	122.145	C2	C1	N5	114.993
C2	N6	H9	120.129	C2	N6	H10	119.673
S3	C1	N5	122.861	S4	C2	N6	122.861
H7	N5	H8	120.198	H9	N6	H10	120.198

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)