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	hartrees
Energy at 0K	-977.826721
Energy at 298.15K	-977.833270
HF Energy	-977.266758
Nuclear repulsion energy	336.748253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3725	3481	0.00
2	A_g	3561	3328	0.00
3	A_g	1753	1638	0.00
4	A_g	1500	1401	0.00
5	A_g	1396	1304	0.00
6	A_g	981	917	0.00
7	A_g	677	632	0.00
8	A_g	444	415	0.00
9	A_g	351	328	0.00
10	A_u	801	748	611.91
11	A_u	686	641	0.56
12	A_u	417	390	19.83
13	A_u	49	46	16.30
14	B_g	813	759	0.00
15	B_g	723	676	0.00
16	B_g	682	638	0.00
17	B_u	3726	3482	202.04
18	B_u	3567	3333	304.06
19	B_u	1735	1621	432.77
20	B_u	1484	1387	538.51
21	B_u	1334	1246	153.99
22	B_u	905	846	106.37
23	B_u	492	459	1.69
24	B_u	304	284	26.57

Atom	x (Å)	y (Å)
C1	-0.052	0.775
C2	0.052	-0.775
S3	1.298	1.741
S4	-1.298	-1.741
N5	-1.298	1.227
N6	1.298	-1.227
H7	-2.072	0.571
H8	-1.468	2.220
H9	2.072	-0.571
H10	1.468	-2.220

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5543	1.6604	2.8082	1.3253	2.4151	2.0296	2.0230	2.5149	3.3594
C2	1.5543		2.8082	1.6604	2.4151	1.3253	2.5149	3.3594	2.0296	2.0230
S3	1.6604	2.8082		4.3440	2.6471	2.9679	3.5672	2.8079	2.4384	3.9650
S4	2.8082	1.6604	4.3440		2.9679	2.6471	2.4384	3.9650	3.5672	2.8079
N5	1.3253	2.4151	2.6471	2.9679		3.5724	1.0137	1.0079	3.8196	4.4199
N6	2.4151	1.3253	2.9679	2.6471	3.5724		3.8196	4.4199	1.0137	1.0079
H7	2.0296	2.5149	3.5672	2.4384	1.0137	3.8196		1.7556	4.2980	4.5083
H8	2.0230	3.3594	2.8079	3.9650	1.0079	4.4199	1.7556		4.5083	5.3236
H9	2.5149	2.0296	2.4384	3.5672	3.8196	1.0137	4.2980	4.5083		1.7556
H10	3.3594	2.0230	3.9650	2.8079	4.4199	1.0079	4.5083	5.3236	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.712	C1	C2	N6	113.767
C1	N5	H7	119.811	C1	N5	H8	119.627
C2	C1	S3	121.712	C2	C1	N5	113.767
C2	N6	H9	119.811	C2	N6	H10	119.627
S3	C1	N5	124.521	S4	C2	N6	124.521
H7	N5	H8	120.562	H9	N6	H10	120.562

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)