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	hartrees
Energy at 0K	-982.984261
Energy at 298.15K	-982.990080
HF Energy	-982.044016
Nuclear repulsion energy	334.685870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3699	3526
2	A_g	3490	3327
3	A_g	1629	1552
4	A_g	1428	1361
5	A_g	1339	1276
6	A_g	959	914
7	A_g	672	641
8	A_g	407	388
9	A_g	329	314
10	A_u	664	632
11	A_u	429	409
12	A_u	374	356
13	A_u	31	30
14	B_g	697	664
15	B_g	642	612
16	B_g	397	378
17	B_u	3701	3527
18	B_u	3499	3335
19	B_u	1584	1509
20	B_u	1432	1364
21	B_u	1227	1170
22	B_u	868	828
23	B_u	446	425
24	B_u	275	262

Atom	x (Å)	y (Å)
C1	-0.046	0.771
C2	0.046	-0.771
S3	1.310	1.758
S4	-1.310	-1.758
N5	-1.310	1.216
N6	1.310	-1.216
H7	-2.064	0.526
H8	-1.489	2.215
H9	2.064	-0.526
H10	1.489	-2.215

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5442	1.6773	2.8271	1.3404	2.4056	2.0330	2.0420	2.4764	3.3574
C2	1.5442		2.8271	1.6773	2.4056	1.3404	2.4764	3.3574	2.0330	2.0420
S3	1.6773	2.8271		4.3849	2.6757	2.9742	3.5922	2.8364	2.4047	3.9772
S4	2.8271	1.6773	4.3849		2.9742	2.6757	2.4047	3.9772	3.5922	2.8364
N5	1.3404	2.4056	2.6757	2.9742		3.5753	1.0225	1.0149	3.7973	4.4284
N6	2.4056	1.3404	2.9742	2.6757	3.5753		3.7973	4.4284	1.0225	1.0149
H7	2.0330	2.4764	3.5922	2.4047	1.0225	3.7973		1.7848	4.2599	4.4875
H8	2.0420	3.3574	2.8364	3.9772	1.0149	4.4284	1.7848		4.4875	5.3385
H9	2.4764	2.0330	2.4047	3.5922	3.7973	1.0225	4.2599	4.4875		1.7848
H10	3.3574	2.0420	3.9772	2.8364	4.4284	1.0149	4.4875	5.3385	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.647	C1	C2	N6	112.822
C1	N5	H7	118.095	C1	N5	H8	119.575
C2	C1	S3	122.647	C2	C1	N5	112.822
C2	N6	H9	118.095	C2	N6	H10	119.575
S3	C1	N5	124.532	S4	C2	N6	124.532
H7	N5	H8	122.330	H9	N6	H10	122.330

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)