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	hartrees
Energy at 0K	-984.545041
Energy at 298.15K	-984.551060
HF Energy	-984.545041
Nuclear repulsion energy	336.501918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3679	3541	0.00
2	A_g	3439	3310	0.00
3	A_g	1629	1568	0.00
4	A_g	1428	1374	0.00
5	A_g	1319	1270	0.00
6	A_g	941	906	0.00
7	A_g	676	651	0.00
8	A_g	410	394	0.00
9	A_g	331	319	0.00
10	A_u	670	645	21.32
11	A_u	507	488	278.50
12	A_u	385	370	50.22
13	A_u	52	50	7.10
14	B_g	713	687	0.00
15	B_g	658	633	0.00
16	B_g	489	471	0.00
17	B_u	3681	3543	198.91
18	B_u	3444	3315	216.37
19	B_u	1594	1534	490.16
20	B_u	1422	1369	277.53
21	B_u	1228	1182	132.26
22	B_u	867	835	52.05
23	B_u	448	431	1.06
24	B_u	276	266	27.39

Atom	x (Å)	y (Å)
C1	-0.047	0.764
C2	0.047	-0.764
S3	1.304	1.744
S4	-1.304	-1.744
N5	-1.304	1.214
N6	1.304	-1.214
H7	-2.061	0.529
H8	-1.485	2.207
H9	2.061	-0.529
H10	1.485	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5317	1.6688	2.8055	1.3342	2.3952	2.0274	2.0370	2.4737	3.3433
C2	1.5317		2.8055	1.6688	2.3952	1.3342	2.4737	3.3433	2.0274	2.0370
S3	1.6688	2.8055		4.3549	2.6606	2.9576	3.5772	2.8272	2.3964	3.9551
S4	2.8055	1.6688	4.3549		2.9576	2.6606	2.3964	3.9551	3.5772	2.8272
N5	1.3342	2.3952	2.6606	2.9576		3.5620	1.0206	1.0098	3.7893	4.4134
N6	2.3952	1.3342	2.9576	2.6606	3.5620		3.7893	4.4134	1.0206	1.0098
H7	2.0274	2.4737	3.5772	2.3964	1.0206	3.7893		1.7734	4.2560	4.4795
H8	2.0370	3.3433	2.8272	3.9551	1.0098	4.4134	1.7734		4.4795	5.3205
H9	2.4737	2.0274	2.3964	3.5772	3.7893	1.0206	4.2560	4.4795		1.7734
H10	3.3433	2.0370	3.9551	2.8272	4.4134	1.0098	4.4795	5.3205	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.410	C1	C2	N6	113.214
C1	N5	H7	118.243	C1	N5	H8	120.049
C2	C1	S3	122.410	C2	C1	N5	113.214
C2	N6	H9	118.243	C2	N6	H10	120.049
S3	C1	N5	124.376	S4	C2	N6	124.376
H7	N5	H8	121.708	H9	N6	H10	121.708

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/6-31+G**

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	-0.017
2	C	-0.017
3	S	-0.271
4	S	-0.271
5	N	-0.367
6	N	-0.367
7	H	0.324
8	H	0.332
9	H	0.324
10	H	0.332

	x	y	z
x	15.796	3.209	0.000
y	3.209	14.262	0.000
z	0.000	0.000	6.954

<r²>	257.683
(<r²>)^1/2	16.053

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)