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	hartrees
Energy at 0K	-982.684434
Energy at 298.15K
HF Energy	-981.986398
Nuclear repulsion energy	338.532791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3834	3549	0.00
2	A_g	3677	3404	0.00
3	A_g	1750	1620	0.00
4	A_g	1525	1412	0.00
5	A_g	1435	1329	0.00
6	A_g	1027	951	0.00
7	A_g	710	658	0.00
8	A_g	445	412	0.00
9	A_g	354	328	0.00
10	A_u	684	633	1.18
11	A_u	576	533	464.94
12	A_u	413	382	35.37
13	A_u	5i	5i	11.62
14	B_g	756	699	0.00
15	B_g	681	630	0.00
16	B_g	549	508	0.00
17	B_u	3835	3550	227.76
18	B_u	3682	3409	288.04
19	B_u	1716	1589	571.77
20	B_u	1511	1399	464.01
21	B_u	1310	1213	172.09
22	B_u	919	851	112.92
23	B_u	490	454	0.58
24	B_u	302	279	25.13

Atom	x (Å)	y (Å)
C1	-0.048	0.765
C2	0.048	-0.765
S3	1.288	1.740
S4	-1.288	-1.740
N5	-1.288	1.218
N6	1.288	-1.218
H7	-2.062	0.573
H8	-1.450	2.208
H9	2.062	-0.573
H10	1.450	-2.208

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5329	1.6539	2.7951	1.3203	2.3910	2.0228	2.0122	2.4979	3.3291
C2	1.5329		2.7951	1.6539	2.3910	1.3203	2.4979	3.3291	2.0228	2.0122
S3	1.6539	2.7951		4.3296	2.6283	2.9581	3.5470	2.7778	2.4388	3.9514
S4	2.7951	1.6539	4.3296		2.9581	2.6283	2.4388	3.9514	3.5470	2.7778
N5	1.3203	2.3910	2.6283	2.9581		3.5455	1.0073	1.0032	3.7983	4.3859
N6	2.3910	1.3203	2.9581	2.6283	3.5455		3.7983	4.3859	1.0073	1.0032
H7	2.0228	2.4979	3.5470	2.4388	1.0073	3.7983		1.7457	4.2794	4.4795
H8	2.0122	3.3291	2.7778	3.9514	1.0032	4.3859	1.7457		4.4795	5.2833
H9	2.4979	2.0228	2.4388	3.5470	3.7983	1.0073	4.2794	4.4795		1.7457
H10	3.3291	2.0122	3.9514	2.7778	4.3859	1.0032	4.4795	5.2833	1.7457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.543	C1	C2	N6	113.656
C1	N5	H7	120.097	C1	N5	H8	119.373
C2	C1	S3	122.543	C2	C1	N5	113.656
C2	N6	H9	120.097	C2	N6	H10	119.373
S3	C1	N5	123.801	S4	C2	N6	123.801
H7	N5	H8	120.529	H9	N6	H10	120.529

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)