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	hartrees
Energy at 0K	-983.090491
Energy at 298.15K	-983.096627
HF Energy	-982.026805
Nuclear repulsion energy	337.687268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3754	3557	0.00
2	A_g	3573	3385	0.00
3	A_g	1661	1574	0.00
4	A_g	1465	1388	0.00
5	A_g	1371	1299	0.00
6	A_g	983	931	0.00
7	A_g	683	647	0.00
8	A_g	419	397	0.00
9	A_g	337	319	0.00
10	A_u	674	639	1.53
11	A_u	538	510	288.77
12	A_u	399	378	41.60
13	A_u	39	37	10.66
14	B_g	739	700	0.00
15	B_g	669	634	0.00
16	B_g	512	485	0.00
17	B_u	3756	3558	222.08
18	B_u	3581	3392	276.40
19	B_u	1627	1541	494.25
20	B_u	1458	1381	353.56
21	B_u	1253	1187	125.50
22	B_u	882	835	68.86
23	B_u	461	436	0.61
24	B_u	286	271	27.76

Atom	x (Å)	y (Å)
C1	-0.048	0.766
C2	0.048	-0.766
S3	1.296	1.741
S4	-1.296	-1.741
N5	-1.296	1.213
N6	1.296	-1.213
H7	-2.056	0.546
H8	-1.466	2.204
H9	2.056	-0.546
H10	1.466	-2.204

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5350	1.6607	2.8008	1.3257	2.3925	2.0199	2.0191	2.4798	3.3334
C2	1.5350		2.8008	1.6607	2.3925	1.3257	2.4798	3.3334	2.0199	2.0191
S3	1.6607	2.8008		4.3414	2.6453	2.9546	3.5587	2.8000	2.4107	3.9490
S4	2.8008	1.6607	4.3414		2.9546	2.6453	2.4107	3.9490	3.5587	2.8000
N5	1.3257	2.3925	2.6453	2.9546		3.5507	1.0111	1.0051	3.7859	4.3936
N6	2.3925	1.3257	2.9546	2.6453	3.5507		3.7859	4.3936	1.0111	1.0051
H7	2.0199	2.4798	3.5587	2.4107	1.0111	3.7859		1.7596	4.2548	4.4683
H8	2.0191	3.3334	2.8000	3.9490	1.0051	4.3936	1.7596		4.4683	5.2935
H9	2.4798	2.0199	2.4107	3.5587	3.7859	1.0111	4.2548	4.4683		1.7596
H10	3.3334	2.0191	3.9490	2.8000	4.3936	1.0051	4.4683	5.2935	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.375	C1	C2	N6	113.308
C1	N5	H7	119.015	C1	N5	H8	119.424
C2	C1	S3	122.375	C2	C1	N5	113.308
C2	N6	H9	119.015	C2	N6	H10	119.424
S3	C1	N5	124.317	S4	C2	N6	124.317
H7	N5	H8	121.561	H9	N6	H10	121.561

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)