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	hartrees
Energy at 0K	-984.120162
Energy at 298.15K
HF Energy	-983.755780
Nuclear repulsion energy	338.085153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3719	3719	0.00
2	A_g	3508	3508	0.00
3	A_g	1637	1637	0.00
4	A_g	1450	1450	0.00
5	A_g	1336	1336	0.00
6	A_g	959	959	0.00
7	A_g	682	682	0.00
8	A_g	417	417	0.00
9	A_g	336	336	0.00
10	A_u	677	677	6.46
11	A_u	533	533	257.83
12	A_u	396	396	48.50
13	A_u	50	50	9.28
14	B_g	735	735	0.00
15	B_g	670	670	0.00
16	B_g	505	505	0.00
17	B_u	3721	3721	220.41
18	B_u	3514	3514	244.03
19	B_u	1600	1600	464.51
20	B_u	1446	1446	263.95
21	B_u	1240	1240	111.47
22	B_u	879	879	46.08
23	B_u	456	456	0.72
24	B_u	284	284	28.94

Atom	x (Å)	y (Å)
C1	-0.048	0.763
C2	0.048	-0.763
S3	1.297	1.735
S4	-1.297	-1.735
N5	-1.297	1.211
N6	1.297	-1.211
H7	-2.052	0.535
H8	-1.471	2.201
H9	2.052	-0.535
H10	1.471	-2.201

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5280	1.6597	2.7927	1.3273	2.3883	2.0170	2.0237	2.4680	3.3303
C2	1.5280		2.7927	1.6597	2.3883	1.3273	2.4680	3.3303	2.0170	2.0237
S3	1.6597	2.7927		4.3327	2.6464	2.9464	3.5576	2.8069	2.3920	3.9404
S4	2.7927	1.6597	4.3327		2.9464	2.6464	2.3920	3.9404	3.5576	2.8069
N5	1.3273	2.3883	2.6464	2.9464		3.5491	1.0137	1.0053	3.7765	4.3939
N6	2.3883	1.3273	2.9464	2.6464	3.5491		3.7765	4.3939	1.0137	1.0053
H7	2.0170	2.4680	3.5576	2.3920	1.0137	3.7765		1.7651	4.2406	4.4603
H8	2.0237	3.3303	2.8069	3.9404	1.0053	4.3939	1.7651		4.4603	5.2951
H9	2.4680	2.0170	2.3920	3.5576	3.7765	1.0137	4.2406	4.4603		1.7651
H10	3.3303	2.0237	3.9404	2.8069	4.3939	1.0053	4.4603	5.2951	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.291	C1	C2	N6	113.342
C1	N5	H7	118.372	C1	N5	H8	119.718
C2	C1	S3	122.291	C2	C1	N5	113.342
C2	N6	H9	118.372	C2	N6	H10	119.718
S3	C1	N5	124.366	S4	C2	N6	124.366
H7	N5	H8	121.910	H9	N6	H10	121.910

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)