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	hartrees
Energy at 0K	-983.048131
Energy at 298.15K	-983.054239
HF Energy	-982.026031
Nuclear repulsion energy	338.654727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3735	3528	0.00
2	A_g	3527	3332	0.00
3	A_g	1643	1552	0.00
4	A_g	1457	1376	0.00
5	A_g	1339	1265	0.00
6	A_g	971	917	0.00
7	A_g	689	650	0.00
8	A_g	419	395	0.00
9	A_g	340	321	0.00
10	A_u	673	636	3.67
11	A_u	513	484	267.30
12	A_u	397	375	52.81
13	A_u	45	43	8.79
14	B_g	730	689	0.00
15	B_g	667	630	0.00
16	B_g	488	460	0.00
17	B_u	3737	3530	247.73
18	B_u	3536	3339	287.67
19	B_u	1599	1510	515.11
20	B_u	1464	1383	272.05
21	B_u	1238	1169	95.28
22	B_u	906	856	33.48
23	B_u	457	432	0.56
24	B_u	287	271	27.42

Atom	x (Å)	y (Å)
C1	-0.044	0.762
C2	0.044	-0.762
S3	1.297	1.728
S4	-1.297	-1.728
N5	-1.297	1.210
N6	1.297	-1.210
H7	-2.050	0.531
H8	-1.470	2.201
H9	2.050	-0.531
H10	1.470	-2.201

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5266	1.6528	2.7872	1.3298	2.3846	2.0193	2.0261	2.4619	3.3282
C2	1.5266		2.7872	1.6528	2.3846	1.3298	2.4619	3.3282	2.0193	2.0261
S3	1.6528	2.7872		4.3209	2.6447	2.9377	3.5548	2.8073	2.3815	3.9333
S4	2.7872	1.6528	4.3209		2.9377	2.6447	2.3815	3.9333	3.5548	2.8073
N5	1.3298	2.3846	2.6447	2.9377		3.5467	1.0143	1.0068	3.7728	4.3923
N6	2.3846	1.3298	2.9377	2.6447	3.5467		3.7728	4.3923	1.0143	1.0068
H7	2.0193	2.4619	3.5548	2.3815	1.0143	3.7728		1.7682	4.2363	4.4568
H8	2.0261	3.3282	2.8073	3.9333	1.0068	4.3923	1.7682		4.4568	5.2946
H9	2.4619	2.0193	2.3815	3.5548	3.7728	1.0143	4.2363	4.4568		1.7682
H10	3.3282	2.0261	3.9333	2.8073	4.3923	1.0068	4.4568	5.2946	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.424	C1	C2	N6	113.012
C1	N5	H7	118.332	C1	N5	H8	119.605
C2	C1	S3	122.424	C2	C1	N5	113.012
C2	N6	H9	118.332	C2	N6	H10	119.605
S3	C1	N5	124.564	S4	C2	N6	124.564
H7	N5	H8	122.063	H9	N6	H10	122.063

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)