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	hartrees
Energy at 0K	-971.192650
Energy at 298.15K
HF Energy	-970.883836
Nuclear repulsion energy	333.279140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3979	3537	0.00
2	A_g	3694	3284	0.00
3	A_g	1750	1556	0.00
4	A_g	1512	1344	0.00
5	A_g	1380	1227	0.00
6	A_g	1005	894	0.00
7	A_g	701	623	0.00
8	A_g	432	384	0.00
9	A_g	285	254	0.00
10	A_u	678	603	12.12
11	A_u	376	335	0.02
12	A_u	111	99	25.10
13	A_u	440i	392i	446.65
14	B_g	706	628	0.00
15	B_g	665	591	0.00
16	B_g	472i	420i	0.00
17	B_u	3979	3537	88.99
18	B_u	3708	3296	232.02
19	B_u	1690	1502	262.90
20	B_u	1533	1363	125.09
21	B_u	1276	1134	72.11
22	B_u	966	858	18.65
23	B_u	441	392	0.89
24	B_u	235	209	32.49

Atom	x (Å)	y (Å)
C1	-0.012	0.785
C2	0.012	-0.785
S3	1.336	1.723
S4	-1.336	-1.723
N5	-1.336	1.228
N6	1.336	-1.228
H7	-2.073	0.492
H8	-1.592	2.231
H9	2.073	-0.492
H10	1.592	-2.231

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5701	1.6421	2.8360	1.3961	2.4225	2.0818	2.1420	2.4451	3.4158
C2	1.5701		2.8360	1.6421	2.4225	1.3961	2.4451	3.4158	2.0818	2.1420
S3	1.6421	2.8360		4.3604	2.7171	2.9512	3.6243	2.9719	2.3348	3.9621
S4	2.8360	1.6421	4.3604		2.9512	2.7171	2.3348	3.9621	3.6243	2.9719
N5	1.3961	2.4225	2.7171	2.9512		3.6291	1.0417	1.0349	3.8184	4.5318
N6	2.4225	1.3961	2.9512	2.7171	3.6291		3.8184	4.5318	1.0417	1.0349
H7	2.0818	2.4451	3.6243	2.3348	1.0417	3.8184		1.8037	4.2614	4.5662
H8	2.1420	3.4158	2.9719	3.9621	1.0349	4.5318	1.8037		4.5662	5.4815
H9	2.4451	2.0818	2.3348	3.6243	3.8184	1.0417	4.2614	4.5662		1.8037
H10	3.4158	2.1420	3.9621	2.9719	4.5318	1.0349	4.5662	5.4815	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	123.969	C1	C2	N6	109.379
C1	N5	H7	116.548	C1	N5	H8	122.864
C2	C1	S3	123.969	C2	C1	N5	109.379
C2	N6	H9	116.548	C2	N6	H10	122.864
S3	C1	N5	126.652	S4	C2	N6	126.652
H7	N5	H8	120.588	H9	N6	H10	120.588

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)