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	hartrees
Energy at 0K	-977.650685
Energy at 298.15K	-977.657000
HF Energy	-977.060587
Nuclear repulsion energy	329.354534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3581	3505
2	A_g	3394	3322
3	A_g	1678	1643
4	A_g	1443	1412
5	A_g	1331	1303
6	A_g	912	893
7	A_g	642	628
8	A_g	422	413
9	A_g	331	324
10	A_u	735	719
11	A_u	662	648
12	A_u	394	385
13	A_u	63	62
14	B_g	761	745
15	B_g	684	670
16	B_g	655	641
17	B_u	3582	3506
18	B_u	3401	3329
19	B_u	1662	1627
20	B_u	1422	1392
21	B_u	1272	1245
22	B_u	805	788
23	B_u	457	447
24	B_u	286	280

Atom	x (Å)	y (Å)
C1	-0.065	0.765
C2	0.065	-0.765
S3	1.328	1.808
S4	-1.328	-1.808
N5	-1.328	1.213
N6	1.328	-1.213
H7	-2.098	0.536
H8	-1.507	2.215
H9	2.098	-0.536
H10	1.507	-2.215

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5362	1.7401	2.8664	1.3396	2.4196	2.0456	2.0446	2.5245	3.3697
C2	1.5362		2.8664	1.7401	2.4196	1.3396	2.5245	3.3697	2.0456	2.0446
S3	1.7401	2.8664		4.4864	2.7215	3.0210	3.6543	2.8640	2.4673	4.0270
S4	2.8664	1.7401	4.4864		3.0210	2.7215	2.4673	4.0270	3.6543	2.8640
N5	1.3396	2.4196	2.7215	3.0210		3.5970	1.0254	1.0179	3.8465	4.4484
N6	2.4196	1.3396	3.0210	2.7215	3.5970		3.8465	4.4484	1.0254	1.0179
H7	2.0456	2.5245	3.6543	2.4673	1.0254	3.8465		1.7799	4.3307	4.5348
H8	2.0446	3.3697	2.8640	4.0270	1.0179	4.4484	1.7799		4.5348	5.3582
H9	2.5245	2.0456	2.4673	3.6543	3.8465	1.0254	4.3307	4.5348		1.7799
H10	3.3697	2.0446	4.0270	2.8640	4.4484	1.0179	4.5348	5.3582	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.939	C1	C2	N6	114.397
C1	N5	H7	119.158	C1	N5	H8	119.669
C2	C1	S3	121.939	C2	C1	N5	114.397
C2	N6	H9	119.158	C2	N6	H10	119.669
S3	C1	N5	123.664	S4	C2	N6	123.664
H7	N5	H8	121.173	H9	N6	H10	121.173

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)