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	hartrees
Energy at 0K	-982.311379
Energy at 298.15K	-982.317843
HF Energy	-981.862805
Nuclear repulsion energy	332.118404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3798	3552	0.00
2	A_g	3633	3398	0.00
3	A_g	1771	1657	0.00
4	A_g	1528	1429	0.00
5	A_g	1432	1339	0.00
6	A_g	1012	946	0.00
7	A_g	690	645	0.00
8	A_g	440	411	0.00
9	A_g	345	323	0.00
10	A_u	821	767	668.53
11	A_u	668	625	0.05
12	A_u	405	379	17.86
13	A_u	30	28	18.24
14	B_g	821	767	0.00
15	B_g	735	687	0.00
16	B_g	659	616	0.00
17	B_u	3799	3552	175.94
18	B_u	3637	3402	279.68
19	B_u	1752	1639	465.33
20	B_u	1506	1408	485.99
21	B_u	1333	1246	166.19
22	B_u	843	789	135.30
23	B_u	486	455	2.15
24	B_u	292	273	25.45

Atom	x (Å)	y (Å)
C1	-0.064	0.760
C2	0.064	-0.760
S3	1.312	1.794
S4	-1.312	-1.794
N5	-1.312	1.216
N6	1.312	-1.216
H7	-2.092	0.574
H8	-1.479	2.207
H9	2.092	-0.574
H10	1.479	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5251	1.7215	2.8423	1.3290	2.4082	2.0359	2.0239	2.5352	3.3441
C2	1.5251		2.8423	1.7215	2.4082	1.3290	2.5352	3.3441	2.0359	2.0239
S3	1.7215	2.8423		4.4450	2.6875	3.0099	3.6158	2.8220	2.4929	4.0040
S4	2.8423	1.7215	4.4450		3.0099	2.6875	2.4929	4.0040	3.6158	2.8220
N5	1.3290	2.4082	2.6875	3.0099		3.5785	1.0096	1.0046	3.8462	4.4170
N6	2.4082	1.3290	3.0099	2.6875	3.5785		3.8462	4.4170	1.0096	1.0046
H7	2.0359	2.5352	3.6158	2.4929	1.0096	3.8462		1.7436	4.3381	4.5261
H8	2.0239	3.3441	2.8220	4.0040	1.0046	4.4170	1.7436		4.5261	5.3134
H9	2.5352	2.0359	2.4929	3.6158	3.8462	1.0096	4.3381	4.5261		1.7436
H10	3.3441	2.0239	4.0040	2.8220	4.4170	1.0046	4.5261	5.3134	1.7436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.083	C1	C2	N6	114.910
C1	N5	H7	120.438	C1	N5	H8	119.645
C2	C1	S3	122.083	C2	C1	N5	114.910
C2	N6	H9	120.438	C2	N6	H10	119.645
S3	C1	N5	123.008	S4	C2	N6	123.008
H7	N5	H8	119.917	H9	N6	H10	119.917

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)