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	hartrees
Energy at 0K	-983.003548
Energy at 298.15K	-983.009632
HF Energy	-982.065829
Nuclear repulsion energy	335.693880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3725	3593	0.00
2	A_g	3539	3413	0.00
3	A_g	1659	1600	0.00
4	A_g	1440	1388	0.00
5	A_g	1373	1324	0.00
6	A_g	986	951	0.00
7	A_g	685	661	0.00
8	A_g	417	402	0.00
9	A_g	338	326	0.00
10	A_u	658	634	1.45
11	A_u	513	494	239.35
12	A_u	393	379	45.96
13	A_u	34	33	8.15
14	B_g	710	685	0.00
15	B_g	650	627	0.00
16	B_g	496	479	0.00
17	B_u	3727	3594	202.05
18	B_u	3546	3420	252.05
19	B_u	1625	1567	517.68
20	B_u	1433	1382	522.66
21	B_u	1250	1206	123.42
22	B_u	894	862	77.36
23	B_u	459	443	0.32
24	B_u	284	274	24.85

Atom	x (Å)	y (Å)
C1	-0.048	0.769
C2	0.048	-0.769
S3	1.305	1.747
S4	-1.305	-1.747
N5	-1.305	1.226
N6	1.305	-1.226
H7	-2.071	0.557
H8	-1.471	2.222
H9	2.071	-0.557
H10	1.471	-2.222

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5402	1.6698	2.8123	1.3371	2.4100	2.0337	2.0341	2.4997	3.3546
C2	1.5402		2.8123	1.6698	2.4100	1.3371	2.4997	3.3546	2.0337	2.0341
S3	1.6698	2.8123		4.3614	2.6610	2.9732	3.5792	2.8158	2.4287	3.9733
S4	2.8123	1.6698	4.3614		2.9732	2.6610	2.4287	3.9733	3.5792	2.8158
N5	1.3371	2.4100	2.6610	2.9732		3.5805	1.0168	1.0104	3.8176	4.4265
N6	2.4100	1.3371	2.9732	2.6610	3.5805		3.8176	4.4265	1.0168	1.0104
H7	2.0337	2.4997	3.5792	2.4287	1.0168	3.8176		1.7700	4.2891	4.5022
H8	2.0341	3.3546	2.8158	3.9733	1.0104	4.4265	1.7700		4.5022	5.3301
H9	2.4997	2.0337	2.4287	3.5792	3.8176	1.0168	4.2891	4.5022		1.7700
H10	3.3546	2.0341	3.9733	2.8158	4.4265	1.0104	4.5022	5.3301	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.299	C1	C2	N6	113.582
C1	N5	H7	118.898	C1	N5	H8	119.454
C2	C1	S3	122.299	C2	C1	N5	113.582
C2	N6	H9	118.898	C2	N6	H10	119.454
S3	C1	N5	124.119	S4	C2	N6	124.119
H7	N5	H8	121.649	H9	N6	H10	121.649

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)