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	hartrees
Energy at 0K	-983.238190
Energy at 298.15K	-983.244368
HF Energy	-982.130672
Nuclear repulsion energy	338.887372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3766	3558	0.00
2	A_g	3564	3367	0.00
3	A_g	1670	1578	0.00
4	A_g	1461	1380	0.00
5	A_g	1376	1300	0.00
6	A_g	988	934	0.00
7	A_g	693	655	0.00
8	A_g	420	397	0.00
9	A_g	342	323	0.00
10	A_u	681	643	3.98
11	A_u	522	493	244.41
12	A_u	401	379	57.16
13	A_u	43	40	8.29
14	B_g	736	695	0.00
15	B_g	673	635	0.00
16	B_g	497	469	0.00
17	B_u	3767	3559	221.49
18	B_u	3573	3375	280.25
19	B_u	1633	1542	556.92
20	B_u	1460	1379	439.80
21	B_u	1264	1194	117.23
22	B_u	903	853	70.15
23	B_u	462	436	0.45
24	B_u	292	275	28.00

Atom	x (Å)	y (Å)
C1	-0.049	0.764
C2	0.049	-0.764
S3	1.294	1.730
S4	-1.294	-1.730
N5	-1.294	1.210
N6	1.294	-1.210
H7	-2.043	0.534
H8	-1.466	2.196
H9	2.043	-0.534
H10	1.466	-2.196

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5305	1.6547	2.7877	1.3233	2.3874	2.0074	2.0147	2.4613	3.3245
C2	1.5305		2.7877	1.6547	2.3874	1.3233	2.4613	3.3245	2.0074	2.0147
S3	1.6547	2.7877		4.3216	2.6407	2.9402	3.5453	2.7993	2.3844	3.9297
S4	2.7877	1.6547	4.3216		2.9402	2.6407	2.3844	3.9297	3.5453	2.7993
N5	1.3233	2.3874	2.6407	2.9402		3.5439	1.0086	1.0006	3.7655	4.3840
N6	2.3874	1.3233	2.9402	2.6407	3.5439		3.7655	4.3840	1.0086	1.0006
H7	2.0074	2.4613	3.5453	2.3844	1.0086	3.7655		1.7593	4.2229	4.4454
H8	2.0147	3.3245	2.7993	3.9297	1.0006	4.3840	1.7593		4.4454	5.2802
H9	2.4613	2.0074	2.3844	3.5453	3.7655	1.0086	4.2229	4.4454		1.7593
H10	3.3245	2.0147	3.9297	2.7993	4.3840	1.0006	4.4454	5.2802	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.089	C1	C2	N6	113.357
C1	N5	H7	118.190	C1	N5	H8	119.570
C2	C1	S3	122.089	C2	C1	N5	113.357
C2	N6	H9	118.190	C2	N6	H10	119.570
S3	C1	N5	124.553	S4	C2	N6	124.553
H7	N5	H8	122.240	H9	N6	H10	122.240

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)