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	hartrees
Energy at 0K	-977.822749
Energy at 298.15K	-977.829304
HF Energy	-977.266841
Nuclear repulsion energy	336.932298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3731	3472	0.00
2	A_g	3568	3320	0.00
3	A_g	1756	1634	0.00
4	A_g	1502	1398	0.00
5	A_g	1398	1301	0.00
6	A_g	984	916	0.00
7	A_g	679	631	0.00
8	A_g	445	414	0.00
9	A_g	351	327	0.00
10	A_u	801	746	614.18
11	A_u	686	638	0.46
12	A_u	418	389	19.92
13	A_u	49	45	16.24
14	B_g	813	756	0.00
15	B_g	724	673	0.00
16	B_g	682	635	0.00
17	B_u	3732	3473	201.34
18	B_u	3574	3325	306.07
19	B_u	1738	1617	438.18
20	B_u	1487	1384	555.54
21	B_u	1336	1243	154.03
22	B_u	909	846	108.17
23	B_u	493	459	1.67
24	B_u	305	284	26.37

Atom	x (Å)	y (Å)
C1	-0.052	0.775
C2	0.052	-0.775
S3	1.298	1.740
S4	-1.298	-1.740
N5	-1.298	1.227
N6	1.298	-1.227
H7	-2.071	0.572
H8	-1.467	2.220
H9	2.071	-0.572
H10	1.467	-2.220

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5535	1.6593	2.8063	1.3246	2.4144	2.0290	2.0223	2.5149	3.3583
C2	1.5535		2.8063	1.6593	2.4144	1.3246	2.5149	3.3583	2.0290	2.0223
S3	1.6593	2.8063		4.3409	2.6453	2.9667	3.5652	2.8061	2.4384	3.9634
S4	2.8063	1.6593	4.3409		2.9667	2.6453	2.4384	3.9634	3.5652	2.8061
N5	1.3246	2.4144	2.6453	2.9667		3.5713	1.0132	1.0075	3.8191	4.4185
N6	2.4144	1.3246	2.9667	2.6453	3.5713		3.8191	4.4185	1.0132	1.0075
H7	2.0290	2.5149	3.5652	2.4384	1.0132	3.8191		1.7546	4.2976	4.5075
H8	2.0223	3.3583	2.8061	3.9634	1.0075	4.4185	1.7546		4.5075	5.3219
H9	2.5149	2.0290	2.4384	3.5652	3.8191	1.0132	4.2976	4.5075		1.7546
H10	3.3583	2.0223	3.9634	2.8061	4.4185	1.0075	4.5075	5.3219	1.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.695	C1	C2	N6	113.805
C1	N5	H7	119.836	C1	N5	H8	119.637
C2	C1	S3	121.695	C2	C1	N5	113.805
C2	N6	H9	119.836	C2	N6	H10	119.637
S3	C1	N5	124.500	S4	C2	N6	124.500
H7	N5	H8	120.527	H9	N6	H10	120.527

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)