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	hartrees
Energy at 0K	-982.411933
Energy at 298.15K	-982.418180
HF Energy	-981.859158
Nuclear repulsion energy	328.705013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3678	3545	0.00
2	A_g	3509	3381	0.00
3	A_g	1711	1649	0.00
4	A_g	1479	1425	0.00
5	A_g	1376	1325	0.00
6	A_g	963	927	0.00
7	A_g	658	634	0.00
8	A_g	422	406	0.00
9	A_g	330	318	0.00
10	A_u	757	729	621.94
11	A_u	644	621	0.93
12	A_u	383	369	18.48
13	A_u	37	36	15.32
14	B_g	756	728	0.00
15	B_g	695	670	0.00
16	B_g	633	610	0.00
17	B_u	3680	3546	150.10
18	B_u	3514	3387	249.98
19	B_u	1694	1633	408.44
20	B_u	1450	1397	349.61
21	B_u	1285	1238	125.83
22	B_u	788	759	74.03
23	B_u	464	447	2.09
24	B_u	279	269	23.66

Atom	x (Å)	y (Å)
C1	-0.065	0.764
C2	0.065	-0.764
S3	1.326	1.818
S4	-1.326	-1.818
N5	-1.326	1.221
N6	1.326	-1.221
H7	-2.107	0.567
H8	-1.496	2.219
H9	2.107	-0.567
H10	1.496	-2.219

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5326	1.7451	2.8730	1.3420	2.4234	2.0519	2.0419	2.5471	3.3667
C2	1.5326		2.8730	1.7451	2.4234	1.3420	2.5471	3.3667	2.0519	2.0419
S3	1.7451	2.8730		4.5001	2.7187	3.0386	3.6539	2.8510	2.5096	4.0406
S4	2.8730	1.7451	4.5001		3.0386	2.7187	2.5096	4.0406	3.6539	2.8510
N5	1.3420	2.4234	2.7187	3.0386		3.6054	1.0183	1.0128	3.8711	4.4501
N6	2.4234	1.3420	3.0386	2.7187	3.6054		3.8711	4.4501	1.0183	1.0128
H7	2.0519	2.5471	3.6539	2.5096	1.0183	3.8711		1.7613	4.3643	4.5553
H8	2.0419	3.3667	2.8510	4.0406	1.0128	4.4501	1.7613		4.5553	5.3534
H9	2.5471	2.0519	2.5096	3.6539	3.8711	1.0183	4.3643	4.5553		1.7613
H10	3.3667	2.0419	4.0406	2.8510	4.4501	1.0128	4.5553	5.3534	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.322	C1	C2	N6	114.765
C1	N5	H7	120.139	C1	N5	H8	119.598
C2	C1	S3	122.322	C2	C1	N5	114.765
C2	N6	H9	120.139	C2	N6	H10	119.598
S3	C1	N5	122.912	S4	C2	N6	122.912
H7	N5	H8	120.263	H9	N6	H10	120.263

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)