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	hartrees
Energy at 0K	-984.425167
Energy at 298.15K	-984.431338
HF Energy	-984.425167
Nuclear repulsion energy	337.500746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3743	3743	0.00
2	A_g	3533	3533	0.00
3	A_g	1664	1664	0.00
4	A_g	1461	1461	0.00
5	A_g	1355	1355	0.00
6	A_g	968	968	0.00
7	A_g	687	687	0.00
8	A_g	420	420	0.00
9	A_g	338	338	0.00
10	A_u	671	671	18.32
11	A_u	562	562	362.24
12	A_u	393	393	41.72
13	A_u	56	56	11.02
14	B_g	731	731	0.00
15	B_g	662	662	0.00
16	B_g	536	536	0.00
17	B_u	3744	3744	228.85
18	B_u	3541	3541	244.53
19	B_u	1621	1621	581.38
20	B_u	1462	1462	267.67
21	B_u	1250	1250	145.16
22	B_u	891	891	67.62
23	B_u	461	461	1.20
24	B_u	283	283	31.19

Atom	x (Å)	y (Å)
C1	-0.049	0.766
C2	0.049	-0.766
S3	1.297	1.742
S4	-1.297	-1.742
N5	-1.297	1.213
N6	1.297	-1.213
H7	-2.055	0.538
H8	-1.471	2.205
H9	2.055	-0.538
H10	1.471	-2.205

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5358	1.6624	2.8018	1.3252	2.3936	2.0194	2.0228	2.4757	3.3376
C2	1.5358		2.8018	1.6624	2.3936	1.3252	2.4757	3.3376	2.0194	2.0228
S3	1.6624	2.8018		4.3437	2.6468	2.9555	3.5621	2.8061	2.4028	3.9511
S4	2.8018	1.6624	4.3437		2.9555	2.6468	2.4028	3.9511	3.5621	2.8061
N5	1.3252	2.3936	2.6468	2.9555		3.5515	1.0160	1.0070	3.7818	4.3982
N6	2.3936	1.3252	2.9555	2.6468	3.5515		3.7818	4.3982	1.0160	1.0070
H7	2.0194	2.4757	3.5621	2.4028	1.0160	3.7818		1.7669	4.2491	4.4674
H8	2.0228	3.3376	2.8061	3.9511	1.0070	4.3982	1.7669		4.4674	5.3012
H9	2.4757	2.0194	2.4028	3.5621	3.7818	1.0160	4.2491	4.4674		1.7669
H10	3.3376	2.0228	3.9511	2.8061	4.3982	1.0070	4.4674	5.3012	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.287	C1	C2	N6	113.369
C1	N5	H7	118.610	C1	N5	H8	119.676
C2	C1	S3	122.287	C2	C1	N5	113.369
C2	N6	H9	118.610	C2	N6	H10	119.676
S3	C1	N5	124.344	S4	C2	N6	124.344
H7	N5	H8	121.713	H9	N6	H10	121.713

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.138
2	C	0.138
3	S	-0.227
4	S	-0.227
5	N	-0.561
6	N	-0.561
7	H	0.325
8	H	0.326
9	H	0.325
10	H	0.326

	x	y	z
x	14.063	3.204	0.000
y	3.204	12.123	0.000
z	0.000	0.000	4.540

<r²>	256.054
(<r²>)^1/2	16.002

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)