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	hartrees
Energy at 0K	-984.048086
Energy at 298.15K
HF Energy	-983.744543
Nuclear repulsion energy	336.586959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3725	3725	0.00
2	A_g	3524	3524	0.00
3	A_g	1647	1647	0.00
4	A_g	1439	1439	0.00
5	A_g	1335	1335	0.00
6	A_g	956	956	0.00
7	A_g	680	680	0.00
8	A_g	421	421	0.00
9	A_g	337	337	0.00
10	A_u	647	647	9.45
11	A_u	435	435	325.40
12	A_u	379	379	29.49
13	A_u	9	9	3.67
14	B_g	658	658	0.00
15	B_g	641	641	0.00
16	B_g	406	406	0.00
17	B_u	3727	3727	219.03
18	B_u	3529	3529	227.30
19	B_u	1614	1614	467.42
20	B_u	1427	1427	326.90
21	B_u	1239	1239	123.21
22	B_u	876	876	49.00
23	B_u	462	462	0.82
24	B_u	280	280	23.30

Atom	x (Å)	y (Å)
C1	-0.046	0.764
C2	0.046	-0.764
S3	1.301	1.745
S4	-1.301	-1.745
N5	-1.301	1.221
N6	1.301	-1.221
H7	-2.066	0.554
H8	-1.470	2.214
H9	2.066	-0.554
H10	1.470	-2.214

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5307	1.6656	2.8050	1.3356	2.3987	2.0307	2.0329	2.4891	3.3420
C2	1.5307		2.8050	1.6656	2.3987	1.3356	2.4891	3.3420	2.0307	2.0329
S3	1.6656	2.8050		4.3521	2.6534	2.9658	3.5705	2.8103	2.4228	3.9626
S4	2.8050	1.6656	4.3521		2.9658	2.6534	2.4228	3.9626	3.5705	2.8103
N5	1.3356	2.3987	2.6534	2.9658		3.5681	1.0149	1.0076	3.8058	4.4137
N6	2.3987	1.3356	2.9658	2.6534	3.5681		3.8058	4.4137	1.0149	1.0076
H7	2.0307	2.4891	3.5705	2.4228	1.0149	3.8058		1.7636	4.2774	4.4908
H8	2.0329	3.3420	2.8103	3.9626	1.0076	4.4137	1.7636		4.4908	5.3160
H9	2.4891	2.0307	2.4228	3.5705	3.8058	1.0149	4.2774	4.4908		1.7636
H10	3.3420	2.0329	3.9626	2.8103	4.4137	1.0076	4.4908	5.3160	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.643	C1	C2	N6	113.442
C1	N5	H7	118.902	C1	N5	H8	119.706
C2	C1	S3	122.643	C2	C1	N5	113.442
C2	N6	H9	118.902	C2	N6	H10	119.706
S3	C1	N5	123.915	S4	C2	N6	123.915
H7	N5	H8	121.393	H9	N6	H10	121.393

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)