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	hartrees
Energy at 0K	-984.198078
Energy at 298.15K	-984.204017
HF Energy	-983.812623
Nuclear repulsion energy	336.712687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3717	3717	0.00
2	A_g	3537	3537	0.00
3	A_g	1674	1674	0.00
4	A_g	1457	1457	0.00
5	A_g	1341	1341	0.00
6	A_g	956	956	0.00
7	A_g	678	678	0.00
8	A_g	420	420	0.00
9	A_g	336	336	0.00
10	A_u	655	655	4.04
11	A_u	484	484	393.25
12	A_u	385	385	60.39
13	A_u	21	21	7.48
14	B_g	695	695	0.00
15	B_g	648	648	0.00
16	B_g	456	456	0.00
17	B_u	3719	3719	170.72
18	B_u	3540	3540	212.22
19	B_u	1646	1646	429.93
20	B_u	1436	1436	328.80
21	B_u	1253	1253	139.34
22	B_u	874	874	56.72
23	B_u	463	463	1.10
24	B_u	280	280	24.14

Atom	x (Å)	y (Å)
C1	-0.047	0.765
C2	0.047	-0.765
S3	1.298	1.748
S4	-1.298	-1.748
N5	-1.298	1.219
N6	1.298	-1.219
H7	-2.066	0.561
H8	-1.468	2.210
H9	2.066	-0.561
H10	1.468	-2.210

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5329	1.6662	2.8075	1.3309	2.3972	2.0294	2.0270	2.4946	3.3389
C2	1.5329		2.8075	1.6662	2.3972	1.3309	2.4946	3.3389	2.0294	2.0270
S3	1.6662	2.8075		4.3551	2.6494	2.9677	3.5676	2.8045	2.4336	3.9624
S4	2.8075	1.6662	4.3551		2.9677	2.6494	2.4336	3.9624	3.5676	2.8045
N5	1.3309	2.3972	2.6494	2.9677		3.5617	1.0118	1.0056	3.8060	4.4061
N6	2.3972	1.3309	2.9677	2.6494	3.5617		3.8060	4.4061	1.0118	1.0056
H7	2.0294	2.4946	3.5676	2.4336	1.0118	3.8060		1.7546	4.2818	4.4911
H8	2.0270	3.3389	2.8045	3.9624	1.0056	4.4061	1.7546		4.4911	5.3070
H9	2.4946	2.0294	2.4336	3.5676	3.8060	1.0118	4.2818	4.4911		1.7546
H10	3.3389	2.0270	3.9624	2.8045	4.4061	1.0056	4.4911	5.3070	1.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.655	C1	C2	N6	113.475
C1	N5	H7	119.437	C1	N5	H8	119.699
C2	C1	S3	122.655	C2	C1	N5	113.475
C2	N6	H9	119.437	C2	N6	H10	119.699
S3	C1	N5	123.870	S4	C2	N6	123.870
H7	N5	H8	120.864	H9	N6	H10	120.864

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)