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	hartrees
Energy at 0K	-983.950462
Energy at 298.15K	-983.956883
HF Energy	-983.950462
Nuclear repulsion energy	333.942986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3731	3569	0.00
2	A_g	3508	3356	0.00
3	A_g	1689	1616	0.00
4	A_g	1509	1443	0.00
5	A_g	1376	1317	0.00
6	A_g	976	934	0.00
7	A_g	685	656	0.00
8	A_g	426	408	0.00
9	A_g	340	325	0.00
10	A_u	797	762	579.98
11	A_u	661	633	15.74
12	A_u	397	380	24.12
13	A_u	61	58	15.11
14	B_g	810	775	0.00
15	B_g	700	669	0.00
16	B_g	657	629	0.00
17	B_u	3733	3571	185.81
18	B_u	3514	3362	203.37
19	B_u	1660	1588	511.74
20	B_u	1493	1428	223.41
21	B_u	1281	1225	130.92
22	B_u	844	807	61.44
23	B_u	463	443	2.35
24	B_u	284	272	28.45

Atom	x (Å)	y (Å)
C1	-0.063	0.753
C2	0.063	-0.753
S3	1.313	1.771
S4	-1.313	-1.771
N5	-1.313	1.206
N6	1.313	-1.206
H7	-2.078	0.538
H8	-1.488	2.198
H9	2.078	-0.538
H10	1.488	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5104	1.7116	2.8161	1.3294	2.3936	2.0268	2.0297	2.5000	3.3333
C2	1.5104		2.8161	1.7116	2.3936	1.3294	2.5000	3.3333	2.0268	2.0297
S3	1.7116	2.8161		4.4089	2.6851	2.9775	3.6083	2.8329	2.4325	3.9729
S4	2.8161	1.7116	4.4089		2.9775	2.6851	2.4325	3.9729	3.6083	2.8329
N5	1.3294	2.3936	2.6851	2.9775		3.5654	1.0168	1.0070	3.8131	4.4082
N6	2.3936	1.3294	2.9775	2.6851	3.5654		3.8131	4.4082	1.0168	1.0070
H7	2.0268	2.5000	3.6083	2.4325	1.0168	3.8131		1.7622	4.2936	4.4947
H8	2.0297	3.3333	2.8329	3.9729	1.0070	4.4082	1.7622		4.4947	5.3085
H9	2.5000	2.0268	2.4325	3.6083	3.8131	1.0168	4.2936	4.4947		1.7622
H10	3.3333	2.0297	3.9729	2.8329	4.4082	1.0070	4.4947	5.3085	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.736	C1	C2	N6	114.743
C1	N5	H7	118.915	C1	N5	H8	119.996
C2	C1	S3	121.736	C2	C1	N5	114.743
C2	N6	H9	118.915	C2	N6	H10	119.996
S3	C1	N5	123.521	S4	C2	N6	123.521
H7	N5	H8	121.089	H9	N6	H10	121.089

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HSEh1PBE/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	-0.040
2	C	-0.040
3	S	-0.018
4	S	-0.018
5	N	-0.705
6	N	-0.705
7	H	0.384
8	H	0.379
9	H	0.384
10	H	0.379

	x	y	z
x	14.144	3.604	0.000
y	3.604	12.297	0.000
z	0.000	0.000	3.929

<r²>	261.498
(<r²>)^1/2	16.171

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)