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	hartrees
Energy at 0K	-984.106761
Energy at 298.15K	-984.100167
HF Energy	-981.986942
Nuclear repulsion energy	338.346240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3929	3702	0.00
2	A_g	3778	3560	0.00
3	A_g	1821	1715	0.00
4	A_g	1561	1471	0.00
5	A_g	1483	1397	0.00
6	A_g	1054	994	0.00
7	A_g	717	675	0.00
8	A_g	454	427	0.00
9	A_g	355	335	0.00
10	A_u	711	670	0.45
11	A_u	644	607	507.43
12	A_u	428	403	25.92
13	A_u	11i	11i	16.00
14	B_g	793	748	0.00
15	B_g	708	667	0.00
16	B_g	613	578	0.00
17	B_u	3930	3703	249.85
18	B_u	3784	3565	302.47
19	B_u	1794	1690	547.13
20	B_u	1537	1448	567.44
21	B_u	1357	1278	222.45
22	B_u	913	860	185.76
23	B_u	504	475	1.04
24	B_u	305	287	27.61

Atom	x (Å)	y (Å)
C1	-0.042	0.762
C2	0.042	-0.762
S3	1.296	1.737
S4	-1.296	-1.737
N5	-1.296	1.221
N6	1.296	-1.221
H7	-2.068	0.558
H8	-1.463	2.219
H9	2.068	-0.558
H10	1.463	-2.219

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5264	1.6553	2.7962	1.3354	2.3917	2.0365	2.0350	2.4886	3.3390
C2	1.5264		2.7962	1.6553	2.3917	1.3354	2.4886	3.3390	2.0365	2.0350
S3	1.6553	2.7962		4.3345	2.6429	2.9576	3.5647	2.8004	2.4213	3.9594
S4	2.7962	1.6553	4.3345		2.9576	2.6429	2.4213	3.9594	3.5647	2.8004
N5	1.3354	2.3917	2.6429	2.9576		3.5605	1.0174	1.0121	3.8051	4.4090
N6	2.3917	1.3354	2.9576	2.6429	3.5605		3.8051	4.4090	1.0174	1.0121
H7	2.0365	2.4886	3.5647	2.4213	1.0174	3.8051		1.7678	4.2838	4.4917
H8	2.0350	3.3390	2.8004	3.9594	1.0121	4.4090	1.7678		4.4917	5.3151
H9	2.4886	2.0365	2.4213	3.5647	3.8051	1.0174	4.2838	4.4917		1.7678
H10	3.3390	2.0350	3.9594	2.8004	4.4090	1.0121	4.4917	5.3151	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.673	C1	C2	N6	114.448
C1	N5	H7	120.075	C1	N5	H8	118.945
C2	C1	S3	122.673	C2	C1	N5	114.448
C2	N6	H9	120.075	C2	N6	H10	118.945
S3	C1	N5	122.879	S4	C2	N6	122.879
H7	N5	H8	120.979	H9	N6	H10	120.979

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)