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	hartrees
Energy at 0K	-983.385319
Energy at 298.15K	-983.391514
HF Energy	-982.133330
Nuclear repulsion energy	340.329617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3704	3524	0.00
2	A_g	3484	3315	0.00
3	A_g	1641	1561	0.00
4	A_g	1448	1378	0.00
5	A_g	1335	1270	0.00
6	A_g	965	918	0.00
7	A_g	697	663	0.00
8	A_g	421	400	0.00
9	A_g	345	328	0.00
10	A_u	685	652	7.09
11	A_u	511	487	182.04
12	A_u	404	384	83.87
13	A_u	56	54	5.81
14	B_g	749	713	0.00
15	B_g	683	649	0.00
16	B_g	488	464	0.00
17	B_u	3706	3526	235.72
18	B_u	3492	3322	267.43
19	B_u	1597	1519	507.39
20	B_u	1452	1381	332.98
21	B_u	1228	1168	89.70
22	B_u	902	859	27.91
23	B_u	457	435	0.70
24	B_u	292	278	24.51

Atom	x (Å)	y (Å)
C1	-0.046	0.755
C2	0.046	-0.755
S3	1.294	1.714
S4	-1.294	-1.714
N5	-1.294	1.202
N6	1.294	-1.202
H7	-2.039	0.517
H8	-1.471	2.190
H9	2.039	-0.517
H10	1.471	-2.190

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5119	1.6482	2.7658	1.3254	2.3716	2.0072	2.0227	2.4425	3.3126
C2	1.5119		2.7658	1.6482	2.3716	1.3254	2.4425	3.3126	2.0072	2.0227
S3	1.6482	2.7658		4.2949	2.6378	2.9161	3.5417	2.8059	2.3518	3.9079
S4	2.7658	1.6482	4.2949		2.9161	2.6378	2.3518	3.9079	3.5417	2.8059
N5	1.3254	2.3716	2.6378	2.9161		3.5322	1.0128	1.0036	3.7502	4.3764
N6	2.3716	1.3254	2.9161	2.6378	3.5322		3.7502	4.3764	1.0128	1.0036
H7	2.0072	2.4425	3.5417	2.3518	1.0128	3.7502		1.7670	4.2075	4.4329
H8	2.0227	3.3126	2.8059	3.9079	1.0036	4.3764	1.7670		4.4329	5.2767
H9	2.4425	2.0072	2.3518	3.5417	3.7502	1.0128	4.2075	4.4329		1.7670
H10	3.3126	2.0227	3.9079	2.8059	4.3764	1.0036	4.4329	5.2767	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.087	C1	C2	N6	113.251
C1	N5	H7	117.659	C1	N5	H8	119.932
C2	C1	S3	122.087	C2	C1	N5	113.251
C2	N6	H9	117.659	C2	N6	H10	119.932
S3	C1	N5	124.662	S4	C2	N6	124.662
H7	N5	H8	122.409	H9	N6	H10	122.409

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)