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	hartrees
Energy at 0K	-984.639657
Energy at 298.15K	-984.645705
HF Energy	-984.639657
Nuclear repulsion energy	336.923832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3661	3528	0.00
2	A_g	3413	3289	0.00
3	A_g	1621	1562	0.00
4	A_g	1426	1375	0.00
5	A_g	1316	1268	0.00
6	A_g	932	898	0.00
7	A_g	675	650	0.00
8	A_g	408	393	0.00
9	A_g	330	318	0.00
10	A_u	680	655	22.23
11	A_u	519	500	262.35
12	A_u	380	366	44.15
13	A_u	48	47	7.24
14	B_g	716	690	0.00
15	B_g	660	636	0.00
16	B_g	500	482	0.00
17	B_u	3663	3530	192.42
18	B_u	3420	3296	224.01
19	B_u	1587	1529	480.48
20	B_u	1419	1367	266.33
21	B_u	1232	1187	123.66
22	B_u	861	830	50.08
23	B_u	445	429	1.10
24	B_u	279	269	29.14

Atom	x (Å)	y (Å)
C1	-0.050	0.763
C2	0.050	-0.763
S3	1.303	1.744
S4	-1.303	-1.744
N5	-1.303	1.206
N6	1.303	-1.206
H7	-2.053	0.515
H8	-1.490	2.197
H9	2.053	-0.515
H10	1.490	-2.197

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5287	1.6715	2.8021	1.3289	2.3890	2.0181	2.0316	2.4612	3.3358
C2	1.5287		2.8021	1.6715	2.3890	1.3289	2.4612	3.3358	2.0181	2.0316
S3	1.6715	2.8021		4.3536	2.6609	2.9498	3.5738	2.8290	2.3803	3.9447
S4	2.8021	1.6715	4.3536		2.9498	2.6609	2.3803	3.9447	3.5738	2.8290
N5	1.3289	2.3890	2.6609	2.9498		3.5510	1.0197	1.0079	3.7718	4.4018
N6	2.3890	1.3289	2.9498	2.6609	3.5510		3.7718	4.4018	1.0197	1.0079
H7	2.0181	2.4612	3.5738	2.3803	1.0197	3.7718		1.7731	4.2336	4.4614
H8	2.0316	3.3358	2.8290	3.9447	1.0079	4.4018	1.7731		4.4614	5.3079
H9	2.4612	2.0181	2.3803	3.5738	3.7718	1.0197	4.2336	4.4614		1.7731
H10	3.3358	2.0316	3.9447	2.8290	4.4018	1.0079	4.4614	5.3079	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.170	C1	C2	N6	113.260
C1	N5	H7	117.870	C1	N5	H8	120.156
C2	C1	S3	122.170	C2	C1	N5	113.260
C2	N6	H9	117.870	C2	N6	H10	120.156
S3	C1	N5	124.570	S4	C2	N6	124.570
H7	N5	H8	121.974	H9	N6	H10	121.974

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/TZVP

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	0.022
2	C	0.022
3	S	-0.273
4	S	-0.273
5	N	-0.255
6	N	-0.255
7	H	0.249
8	H	0.257
9	H	0.249
10	H	0.257

	x	y	z
x	15.322	3.099	0.000
y	3.099	13.547	0.000
z	0.000	0.000	5.940

<r²>	256.894
(<r²>)^1/2	16.028

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)