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	hartrees
Energy at 0K	-979.226569
Energy at 298.15K	-979.232954
HF Energy	-978.994221
Nuclear repulsion energy	335.646494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3616	3616	0.00
2	A_g	3413	3413	0.00
3	A_g	1672	1672	0.00
4	A_g	1454	1454	0.00
5	A_g	1332	1332	0.00
6	A_g	929	929	0.00
7	A_g	661	661	0.00
8	A_g	427	427	0.00
9	A_g	342	342	0.00
10	A_u	738	738	501.64
11	A_u	664	664	29.15
12	A_u	402	402	28.44
13	A_u	65	65	12.94
14	B_g	768	768	0.00
15	B_g	672	672	0.00
16	B_g	665	665	0.00
17	B_u	3617	3617	188.08
18	B_u	3420	3420	243.25
19	B_u	1653	1653	395.68
20	B_u	1438	1438	311.83
21	B_u	1284	1284	111.83
22	B_u	873	873	49.62
23	B_u	467	467	2.25
24	B_u	295	295	27.10

Atom	x (Å)	y (Å)
C1	-0.051	0.771
C2	0.051	-0.771
S3	1.307	1.742
S4	-1.307	-1.742
N5	-1.307	1.224
N6	1.307	-1.224
H7	-2.074	0.548
H8	-1.483	2.223
H9	2.074	-0.548
H10	1.483	-2.223

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5459	1.6694	2.8103	1.3359	2.4137	2.0361	2.0391	2.5010	3.3638
C2	1.5459		2.8103	1.6694	2.4137	1.3359	2.5010	3.3638	2.0361	2.0391
S3	1.6694	2.8103		4.3565	2.6656	2.9665	3.5865	2.8312	2.4151	3.9689
S4	2.8103	1.6694	4.3565		2.9665	2.6656	2.4151	3.9689	3.5865	2.8312
N5	1.3359	2.4137	2.6656	2.9665		3.5821	1.0227	1.0139	3.8178	4.4347
N6	2.4137	1.3359	2.9665	2.6656	3.5821		3.8178	4.4347	1.0227	1.0139
H7	2.0361	2.5010	3.5865	2.4151	1.0227	3.8178		1.7764	4.2909	4.5087
H8	2.0391	3.3638	2.8312	3.9689	1.0139	4.4347	1.7764		4.5087	5.3438
H9	2.5010	2.0361	2.4151	3.5865	3.8178	1.0227	4.2909	4.5087		1.7764
H10	3.3638	2.0391	3.9689	2.8312	4.4347	1.0139	4.5087	5.3438	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.818	C1	C2	N6	113.565
C1	N5	H7	118.773	C1	N5	H8	119.776
C2	C1	S3	121.818	C2	C1	N5	113.565
C2	N6	H9	118.773	C2	N6	H10	119.776
S3	C1	N5	124.617	S4	C2	N6	124.617
H7	N5	H8	121.452	H9	N6	H10	121.452

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)