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	hartrees
Energy at 0K	-977.517272
Energy at 298.15K	-977.523841
HF Energy	-977.064933
Nuclear repulsion energy	332.970264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3709	3456	0.00
2	A_g	3541	3298	0.00
3	A_g	1759	1639	0.00
4	A_g	1518	1415	0.00
5	A_g	1408	1311	0.00
6	A_g	972	906	0.00
7	A_g	677	631	0.00
8	A_g	438	408	0.00
9	A_g	343	319	0.00
10	A_u	842	785	610.29
11	A_u	695	648	0.13
12	A_u	418	390	20.94
13	A_u	54	50	20.94
14	B_g	852	794	0.00
15	B_g	752	700	0.00
16	B_g	686	639	0.00
17	B_u	3710	3456	207.54
18	B_u	3547	3305	321.31
19	B_u	1740	1621	438.70
20	B_u	1507	1404	444.40
21	B_u	1333	1241	153.97
22	B_u	830	773	128.22
23	B_u	482	449	3.76
24	B_u	300	279	28.47

Atom	x (Å)	y (Å)
C1	-0.070	0.761
C2	0.070	-0.761
S3	1.311	1.789
S4	-1.311	-1.789
N5	-1.311	1.204
N6	1.311	-1.204
H7	-2.083	0.545
H8	-1.487	2.198
H9	2.083	-0.545
H10	1.487	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5292	1.7208	2.8363	1.3175	2.4017	2.0249	2.0175	2.5179	3.3433
C2	1.5292		2.8363	1.7208	2.4017	1.3175	2.5179	3.3433	2.0249	2.0175
S3	1.7208	2.8363		4.4355	2.6857	2.9931	3.6144	2.8268	2.4583	3.9905
S4	2.8363	1.7208	4.4355		2.9931	2.6857	2.4583	3.9905	3.6144	2.8268
N5	1.3175	2.4017	2.6857	2.9931		3.5594	1.0154	1.0091	3.8176	4.4040
N6	2.4017	1.3175	2.9931	2.6857	3.5594		3.8176	4.4040	1.0154	1.0091
H7	2.0249	2.5179	3.6144	2.4583	1.0154	3.8176		1.7571	4.3060	4.5013
H8	2.0175	3.3433	2.8268	3.9905	1.0091	4.4040	1.7571		4.5013	5.3064
H9	2.5179	2.0249	2.4583	3.6144	3.8176	1.0154	4.3060	4.5013		1.7571
H10	3.3433	2.0175	3.9905	2.8268	4.4040	1.0091	4.5013	5.3064	1.7571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.441	C1	C2	N6	114.857
C1	N5	H7	119.888	C1	N5	H8	119.673
C2	C1	S3	121.441	C2	C1	N5	114.857
C2	N6	H9	119.888	C2	N6	H10	119.673
S3	C1	N5	123.702	S4	C2	N6	123.702
H7	N5	H8	120.439	H9	N6	H10	120.439

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)