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	hartrees
Energy at 0K	-982.892525
Energy at 298.15K	-982.898550
HF Energy	-982.001176
Nuclear repulsion energy	338.028859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3781	3533	0.00
2	A_g	3583	3348	0.00
3	A_g	1681	1571	0.00
4	A_g	1476	1379	0.00
5	A_g	1356	1267	0.00
6	A_g	981	917	0.00
7	A_g	695	649	0.00
8	A_g	431	403	0.00
9	A_g	347	324	0.00
10	A_u	660	617	5.64
11	A_u	480	449	368.17
12	A_u	393	368	55.63
13	A_u	25	23	6.00
14	B_g	713	666	0.00
15	B_g	656	613	0.00
16	B_g	457	427	0.00
17	B_u	3782	3534	220.36
18	B_u	3590	3355	263.59
19	B_u	1639	1532	497.01
20	B_u	1473	1376	306.15
21	B_u	1257	1175	93.73
22	B_u	915	855	36.06
23	B_u	470	439	0.64
24	B_u	290	271	23.57

Atom	x (Å)	y (Å)
C1	-0.042	0.762
C2	0.042	-0.762
S3	1.297	1.734
S4	-1.297	-1.734
N5	-1.297	1.217
N6	1.297	-1.217
H7	-2.056	0.548
H8	-1.466	2.208
H9	2.056	-0.548
H10	1.466	-2.208

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5262	1.6540	2.7934	1.3349	2.3889	2.0259	2.0297	2.4736	3.3308
C2	1.5262		2.7934	1.6540	2.3889	1.3349	2.4736	3.3308	2.0259	2.0297
S3	1.6540	2.7934		4.3299	2.6445	2.9503	3.5565	2.8031	2.4050	3.9454
S4	2.7934	1.6540	4.3299		2.9503	2.6445	2.4050	3.9454	3.5565	2.8031
N5	1.3349	2.3889	2.6445	2.9503		3.5564	1.0118	1.0057	3.7893	4.4002
N6	2.3889	1.3349	2.9503	2.6445	3.5564		3.7893	4.4002	1.0118	1.0057
H7	2.0259	2.4736	3.5565	2.4050	1.0118	3.7893		1.7618	4.2564	4.4726
H8	2.0297	3.3308	2.8031	3.9454	1.0057	4.4002	1.7618		4.4726	5.3008
H9	2.4736	2.0259	2.4050	3.5565	3.7893	1.0118	4.2564	4.4726		1.7618
H10	3.3308	2.0297	3.9454	2.8031	4.4002	1.0057	4.4726	5.3008	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.843	C1	C2	N6	113.054
C1	N5	H7	118.732	C1	N5	H8	119.599
C2	C1	S3	122.843	C2	C1	N5	113.054
C2	N6	H9	118.732	C2	N6	H10	119.599
S3	C1	N5	124.103	S4	C2	N6	124.103
H7	N5	H8	121.669	H9	N6	H10	121.669

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)