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	hartrees
Energy at 0K	-983.367678
Energy at 298.15K	-983.373960
HF Energy	-982.130921
Nuclear repulsion energy	340.113622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3775	3521	0.00
2	A_g	3578	3337	0.00
3	A_g	1687	1574	0.00
4	A_g	1474	1375	0.00
5	A_g	1385	1291	0.00
6	A_g	991	924	0.00
7	A_g	700	653	0.00
8	A_g	421	393	0.00
9	A_g	346	322	0.00
10	A_u	690	644	6.06
11	A_u	553	516	241.09
12	A_u	413	385	56.66
13	A_u	49	46	9.00
14	B_g	767	716	0.00
15	B_g	684	638	0.00
16	B_g	525	490	0.00
17	B_u	3776	3522	219.85
18	B_u	3587	3345	283.51
19	B_u	1649	1538	564.13
20	B_u	1472	1373	432.86
21	B_u	1268	1182	122.62
22	B_u	907	845	70.22
23	B_u	464	433	0.47
24	B_u	294	274	28.03

Atom	x (Å)	y (Å)
C1	-0.050	0.759
C2	0.050	-0.759
S3	1.290	1.723
S4	-1.290	-1.723
N5	-1.290	1.204
N6	1.290	-1.204
H7	-2.038	0.530
H8	-1.462	2.188
H9	2.038	-0.530
H10	1.462	-2.188

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5211	1.6510	2.7748	1.3180	2.3769	2.0011	2.0091	2.4531	3.3120
C2	1.5211		2.7748	1.6510	2.3769	1.3180	2.4531	3.3120	2.0011	2.0091
S3	1.6510	2.7748		4.3055	2.6324	2.9273	3.5355	2.7914	2.3735	3.9148
S4	2.7748	1.6510	4.3055		2.9273	2.6324	2.3735	3.9148	3.5355	2.7914
N5	1.3180	2.3769	2.6324	2.9273		3.5298	1.0067	0.9986	3.7526	4.3682
N6	2.3769	1.3180	2.9273	2.6324	3.5298		3.7526	4.3682	1.0067	0.9986
H7	2.0011	2.4531	3.5355	2.3735	1.0067	3.7526		1.7553	4.2108	4.4309
H8	2.0091	3.3120	2.7914	3.9148	0.9986	4.3682	1.7553		4.4309	5.2628
H9	2.4531	2.0011	2.3735	3.5355	3.7526	1.0067	4.2108	4.4309		1.7553
H10	3.3120	2.0091	3.9148	2.7914	4.3682	0.9986	4.4309	5.2628	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.983	C1	C2	N6	113.494
C1	N5	H7	118.191	C1	N5	H8	119.644
C2	C1	S3	121.983	C2	C1	N5	113.494
C2	N6	H9	118.191	C2	N6	H10	119.644
S3	C1	N5	124.523	S4	C2	N6	124.523
H7	N5	H8	122.166	H9	N6	H10	122.166

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)