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	hartrees
Energy at 0K	-977.598673
Energy at 298.15K	-977.605118
HF Energy	-977.063237
Nuclear repulsion energy	331.340632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3616	3516	0.00
2	A_g	3444	3349	0.00
3	A_g	1714	1666	0.00
4	A_g	1474	1433	0.00
5	A_g	1367	1329	0.00
6	A_g	945	919	0.00
7	A_g	662	644	0.00
8	A_g	428	416	0.00
9	A_g	337	328	0.00
10	A_u	790	768	563.29
11	A_u	674	656	1.63
12	A_u	406	395	24.00
13	A_u	58	56	18.76
14	B_g	803	781	0.00
15	B_g	721	701	0.00
16	B_g	666	648	0.00
17	B_u	3617	3517	171.86
18	B_u	3453	3357	310.87
19	B_u	1695	1648	413.99
20	B_u	1465	1424	463.92
21	B_u	1298	1262	134.18
22	B_u	818	795	123.99
23	B_u	472	458	3.21
24	B_u	294	286	27.28

Atom	x (Å)	y (Å)
C1	-0.068	0.763
C2	0.068	-0.763
S3	1.318	1.797
S4	-1.318	-1.797
N5	-1.318	1.210
N6	1.318	-1.210
H7	-2.092	0.543
H8	-1.494	2.210
H9	2.092	-0.543
H10	1.494	-2.210

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5322	1.7286	2.8485	1.3274	2.4113	2.0362	2.0318	2.5245	3.3587
C2	1.5322		2.8485	1.7286	2.4113	1.3274	2.5245	3.3587	2.0362	2.0318
S3	1.7286	2.8485		4.4560	2.6999	3.0068	3.6330	2.8420	2.4647	4.0108
S4	2.8485	1.7286	4.4560		3.0068	2.6999	2.4647	4.0108	3.6330	2.8420
N5	1.3274	2.4113	2.6999	3.0068		3.5783	1.0221	1.0155	3.8344	4.4279
N6	2.4113	1.3274	3.0068	2.6999	3.5783		3.8344	4.4279	1.0221	1.0155
H7	2.0362	2.5245	3.6330	2.4647	1.0221	3.8344		1.7712	4.3232	4.5214
H8	2.0318	3.3587	2.8420	4.0108	1.0155	4.4279	1.7712		4.5214	5.3358
H9	2.5245	2.0362	2.4647	3.6330	3.8344	1.0221	4.3232	4.5214		1.7712
H10	3.3587	2.0318	4.0108	2.8420	4.4279	1.0155	4.5214	5.3358	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.629	C1	C2	N6	114.776
C1	N5	H7	119.578	C1	N5	H8	119.684
C2	C1	S3	121.629	C2	C1	N5	114.776
C2	N6	H9	119.578	C2	N6	H10	119.684
S3	C1	N5	123.595	S4	C2	N6	123.595
H7	N5	H8	120.738	H9	N6	H10	120.738

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)