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	hartrees
Energy at 0K	-984.078312
Energy at 298.15K	-984.084329
HF Energy	-983.780095
Nuclear repulsion energy	336.190764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3692	3539	0.00
2	A_g	3462	3319	0.00
3	A_g	1626	1559	0.00
4	A_g	1431	1372	0.00
5	A_g	1334	1278	0.00
6	A_g	956	916	0.00
7	A_g	680	652	0.00
8	A_g	413	395	0.00
9	A_g	333	319	0.00
10	A_u	676	648	4.67
11	A_u	487	466	240.52
12	A_u	385	369	72.93
13	A_u	50	48	6.68
14	B_g	717	687	0.00
15	B_g	660	632	0.00
16	B_g	455	436	0.00
17	B_u	3694	3541	224.89
18	B_u	3470	3326	236.47
19	B_u	1579	1514	502.64
20	B_u	1435	1375	198.13
21	B_u	1236	1184	87.44
22	B_u	876	839	40.14
23	B_u	451	433	0.76
24	B_u	279	268	29.29

Atom	x (Å)	y (Å)
C1	-0.049	0.765
C2	0.049	-0.765
S3	1.305	1.748
S4	-1.305	-1.748
N5	-1.305	1.212
N6	1.305	-1.212
H7	-2.057	0.520
H8	-1.482	2.208
H9	2.057	-0.520
H10	1.482	-2.208

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5332	1.6728	2.8094	1.3334	2.3957	2.0229	2.0337	2.4667	3.3437
C2	1.5332		2.8094	1.6728	2.3957	1.3334	2.4667	3.3437	2.0229	2.0337
S3	1.6728	2.8094		4.3625	2.6647	2.9592	3.5788	2.8249	2.3894	3.9593
S4	2.8094	1.6728	4.3625		2.9592	2.6647	2.3894	3.9593	3.5788	2.8249
N5	1.3334	2.3957	2.6647	2.9592		3.5615	1.0211	1.0117	3.7817	4.4112
N6	2.3957	1.3334	2.9592	2.6647	3.5615		3.7817	4.4112	1.0211	1.0117
H7	2.0229	2.4667	3.5788	2.3894	1.0211	3.7817		1.7824	4.2430	4.4682
H8	2.0337	3.3437	2.8249	3.9593	1.0117	4.4112	1.7824		4.4682	5.3180
H9	2.4667	2.0229	2.3894	3.5788	3.7817	1.0211	4.2430	4.4682		1.7824
H10	3.3437	2.0337	3.9593	2.8249	4.4112	1.0117	4.4682	5.3180	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.336	C1	C2	N6	113.201
C1	N5	H7	117.837	C1	N5	H8	119.641
C2	C1	S3	122.336	C2	C1	N5	113.201
C2	N6	H9	117.837	C2	N6	H10	119.641
S3	C1	N5	124.463	S4	C2	N6	124.463
H7	N5	H8	122.521	H9	N6	H10	122.521

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)