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	hartrees
Energy at 0K	-984.432682
Energy at 298.15K	-984.438794
HF Energy	-984.432682
Nuclear repulsion energy	337.324136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3737	3559	0.00
2	A_g	3536	3367	0.00
3	A_g	1652	1573	0.00
4	A_g	1450	1381	0.00
5	A_g	1351	1286	0.00
6	A_g	965	919	0.00
7	A_g	685	652	0.00
8	A_g	417	397	0.00
9	A_g	335	319	0.00
10	A_u	660	629	22.01
11	A_u	539	513	297.40
12	A_u	393	374	47.55
13	A_u	51	48	9.40
14	B_g	725	690	0.00
15	B_g	653	622	0.00
16	B_g	520	495	0.00
17	B_u	3739	3561	230.54
18	B_u	3542	3373	242.14
19	B_u	1613	1536	570.41
20	B_u	1446	1377	335.94
21	B_u	1244	1184	156.31
22	B_u	890	848	67.47
23	B_u	460	438	1.05
24	B_u	276	263	28.05

Atom	x (Å)	y (Å)
C1	-0.049	0.765
C2	0.049	-0.765
S3	1.296	1.741
S4	-1.296	-1.741
N5	-1.296	1.219
N6	1.296	-1.219
H7	-2.057	0.543
H8	-1.466	2.211
H9	2.057	-0.543
H10	1.466	-2.211

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5338	1.6623	2.7997	1.3268	2.3972	2.0197	2.0244	2.4795	3.3402
C2	1.5338		2.7997	1.6623	2.3972	1.3268	2.4795	3.3402	2.0197	2.0244
S3	1.6623	2.7997		4.3417	2.6448	2.9599	3.5607	2.8020	2.4077	3.9564
S4	2.7997	1.6623	4.3417		2.9599	2.6448	2.4077	3.9564	3.5607	2.8020
N5	1.3268	2.3972	2.6448	2.9599		3.5583	1.0171	1.0073	3.7877	4.4040
N6	2.3972	1.3268	2.9599	2.6448	3.5583		3.7877	4.4040	1.0171	1.0073
H7	2.0197	2.4795	3.5607	2.4077	1.0171	3.7877		1.7699	4.2546	4.4718
H8	2.0244	3.3402	2.8020	3.9564	1.0073	4.4040	1.7699		4.4718	5.3064
H9	2.4795	2.0197	2.4077	3.5607	3.7877	1.0171	4.2546	4.4718		1.7699
H10	3.3402	2.0244	3.9564	2.8020	4.4040	1.0073	4.4718	5.3064	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.266	C1	C2	N6	113.664
C1	N5	H7	118.413	C1	N5	H8	119.671
C2	C1	S3	122.266	C2	C1	N5	113.664
C2	N6	H9	118.413	C2	N6	H10	119.671
S3	C1	N5	124.070	S4	C2	N6	124.070
H7	N5	H8	121.916	H9	N6	H10	121.916

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: wB97X-D/6-31+G**

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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Number	Element	Mulliken
1	C	-0.039
2	C	-0.039
3	S	-0.220
4	S	-0.220
5	N	-0.416
6	N	-0.416
7	H	0.335
8	H	0.340
9	H	0.335
10	H	0.340

	x	y	z
x	15.679	3.272	0.000
y	3.272	13.626	0.000
z	0.000	0.000	6.974

<r²>	256.787
(<r²>)^1/2	16.025

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)