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	hartrees
Energy at 0K	-982.945798
Energy at 298.15K	-982.951756
HF Energy	-982.045358
Nuclear repulsion energy	335.671925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3729	3533	0.00
2	A_g	3534	3348	0.00
3	A_g	1654	1567	0.00
4	A_g	1449	1372	0.00
5	A_g	1368	1296	0.00
6	A_g	980	928	0.00
7	A_g	684	648	0.00
8	A_g	415	393	0.00
9	A_g	335	317	0.00
10	A_u	667	632	1.10
11	A_u	463	438	256.78
12	A_u	387	367	85.68
13	A_u	31	29	6.37
14	B_g	711	674	0.00
15	B_g	653	619	0.00
16	B_g	432	409	0.00
17	B_u	3731	3534	215.73
18	B_u	3542	3355	260.93
19	B_u	1609	1524	556.65
20	B_u	1451	1375	300.44
21	B_u	1247	1181	98.56
22	B_u	886	840	58.68
23	B_u	457	433	0.39
24	B_u	281	266	27.20

Atom	x (Å)	y (Å)
C1	-0.047	0.770
C2	0.047	-0.770
S3	1.305	1.752
S4	-1.305	-1.752
N5	-1.305	1.217
N6	1.305	-1.217
H7	-2.063	0.536
H8	-1.478	2.215
H9	2.063	-0.536
H10	1.478	-2.215

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5430	1.6708	2.8185	1.3349	2.4035	2.0300	2.0340	2.4820	3.3524
C2	1.5430		2.8185	1.6708	2.4035	1.3349	2.4820	3.3524	2.0300	2.0340
S3	1.6708	2.8185		4.3693	2.6636	2.9696	3.5809	2.8211	2.4111	3.9714
S4	2.8185	1.6708	4.3693		2.9696	2.6636	2.4111	3.9714	3.5809	2.8211
N5	1.3349	2.4035	2.6636	2.9696		3.5688	1.0196	1.0130	3.7973	4.4190
N6	2.4035	1.3349	2.9696	2.6636	3.5688		3.7973	4.4190	1.0196	1.0130
H7	2.0300	2.4820	3.5809	2.4111	1.0196	3.7973		1.7781	4.2640	4.4849
H8	2.0340	3.3524	2.8211	3.9714	1.0130	4.4190	1.7781		4.4849	5.3265
H9	2.4820	2.0300	2.4111	3.5809	3.7973	1.0196	4.2640	4.4849		1.7781
H10	3.3524	2.0340	3.9714	2.8211	4.4190	1.0130	4.4849	5.3265	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.517	C1	C2	N6	113.064
C1	N5	H7	118.515	C1	N5	H8	119.441
C2	C1	S3	122.517	C2	C1	N5	113.064
C2	N6	H9	118.515	C2	N6	H10	119.441
S3	C1	N5	124.419	S4	C2	N6	124.419
H7	N5	H8	122.044	H9	N6	H10	122.044

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)