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	hartrees
Energy at 0K	-982.853642
Energy at 298.15K
HF Energy	-981.984770
Nuclear repulsion energy	336.569833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3711	3504	0.00
2	A_g	3553	3355	0.00
3	A_g	1687	1593	0.00
4	A_g	1477	1395	0.00
5	A_g	1383	1306	0.00
6	A_g	989	934	0.00
7	A_g	689	651	0.00
8	A_g	432	408	0.00
9	A_g	345	325	0.00
10	A_u	657	621	2.30
11	A_u	506	478	424.74
12	A_u	393	371	46.42
13	A_u	6i	6i	8.03
14	B_g	714	674	0.00
15	B_g	652	616	0.00
16	B_g	479	452	0.00
17	B_u	3713	3506	192.66
18	B_u	3559	3361	265.01
19	B_u	1652	1560	534.10
20	B_u	1466	1385	386.18
21	B_u	1266	1196	128.61
22	B_u	889	840	76.15
23	B_u	472	446	0.52
24	B_u	293	277	23.27

Atom	x (Å)	y (Å)
C1	-0.046	0.766
C2	0.046	-0.766
S3	1.297	1.749
S4	-1.297	-1.749
N5	-1.297	1.223
N6	1.297	-1.223
H7	-2.073	0.566
H8	-1.462	2.221
H9	2.073	-0.566
H10	1.462	-2.221

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5355	1.6635	2.8091	1.3320	2.3997	2.0373	2.0302	2.5030	3.3461
C2	1.5355		2.8091	1.6635	2.3997	1.3320	2.5030	3.3461	2.0373	2.0302
S3	1.6635	2.8091		4.3542	2.6469	2.9712	3.5714	2.7992	2.4416	3.9728
S4	2.8091	1.6635	4.3542		2.9712	2.6469	2.4416	3.9728	3.5714	2.7992
N5	1.3320	2.3997	2.6469	2.9712		3.5649	1.0162	1.0118	3.8155	4.4124
N6	2.3997	1.3320	2.9712	2.6469	3.5649		3.8155	4.4124	1.0162	1.0118
H7	2.0373	2.5030	3.5714	2.4416	1.0162	3.8155		1.7636	4.2980	4.5017
H8	2.0302	3.3461	2.7992	3.9728	1.0118	4.4124	1.7636		4.5017	5.3177
H9	2.5030	2.0373	2.4416	3.5714	3.8155	1.0162	4.2980	4.5017		1.7636
H10	3.3461	2.0302	3.9728	2.7992	4.4124	1.0118	4.5017	5.3177	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.785	C1	C2	N6	113.432
C1	N5	H7	119.754	C1	N5	H8	119.415
C2	C1	S3	122.785	C2	C1	N5	113.432
C2	N6	H9	119.754	C2	N6	H10	119.415
S3	C1	N5	123.784	S4	C2	N6	123.784
H7	N5	H8	120.831	H9	N6	H10	120.831

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)