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	hartrees
Energy at 0K	-984.175054
Energy at 298.15K
HF Energy	-983.834649
Nuclear repulsion energy	336.879697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3695	3526	0.00
2	A_g	3489	3329	0.00
3	A_g	1634	1559	0.00
4	A_g	1436	1371	0.00
5	A_g	1328	1267	0.00
6	A_g	945	901	0.00
7	A_g	678	647	0.00
8	A_g	417	398	0.00
9	A_g	334	319	0.00
10	A_u	653	623	8.16
11	A_u	443	423	307.77
12	A_u	368	351	27.77
13	A_u	30i	29i	4.15
14	B_g	675	644	0.00
15	B_g	642	613	0.00
16	B_g	432	412	0.00
17	B_u	3697	3528	210.10
18	B_u	3495	3335	228.67
19	B_u	1603	1529	460.22
20	B_u	1421	1356	303.07
21	B_u	1241	1184	111.85
22	B_u	869	829	46.14
23	B_u	459	438	0.77
24	B_u	280	267	25.40

Atom	x (Å)	y (Å)
C1	-0.049	0.763
C2	0.049	-0.763
S3	1.300	1.746
S4	-1.300	-1.746
N5	-1.300	1.214
N6	1.300	-1.214
H7	-2.058	0.540
H8	-1.474	2.204
H9	2.058	-0.540
H10	1.474	-2.204

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5284	1.6694	2.8032	1.3300	2.3929	2.0217	2.0270	2.4776	3.3350
C2	1.5284		2.8032	1.6694	2.3929	1.3300	2.4776	3.3350	2.0217	2.0270
S3	1.6694	2.8032		4.3535	2.6542	2.9595	3.5684	2.8117	2.4085	3.9540
S4	2.8032	1.6694	4.3535		2.9595	2.6542	2.4085	3.9540	3.5684	2.8117
N5	1.3300	2.3929	2.6542	2.9595		3.5573	1.0141	1.0058	3.7890	4.4021
N6	2.3929	1.3300	2.9595	2.6542	3.5573		3.7890	4.4021	1.0141	1.0058
H7	2.0217	2.4776	3.5684	2.4085	1.0141	3.7890		1.7638	4.2562	4.4732
H8	2.0270	3.3350	2.8117	3.9540	1.0058	4.4021	1.7638		4.4732	5.3034
H9	2.4776	2.0217	2.4085	3.5684	3.7890	1.0141	4.2562	4.4732		1.7638
H10	3.3350	2.0270	3.9540	2.8117	4.4021	1.0058	4.4732	5.3034	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.406	C1	C2	N6	113.500
C1	N5	H7	118.563	C1	N5	H8	119.768
C2	C1	S3	122.406	C2	C1	N5	113.500
C2	N6	H9	118.563	C2	N6	H10	119.768
S3	C1	N5	124.094	S4	C2	N6	124.094
H7	N5	H8	121.669	H9	N6	H10	121.669

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)