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	hartrees
Energy at 0K	-982.931254
Energy at 298.15K	-982.937193
HF Energy	-982.044871
Nuclear repulsion energy	336.638372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3720	3535	0.00
2	A_g	3499	3325	0.00
3	A_g	1643	1562	0.00
4	A_g	1440	1369	0.00
5	A_g	1338	1272	0.00
6	A_g	968	920	0.00
7	A_g	688	654	0.00
8	A_g	416	395	0.00
9	A_g	337	320	0.00
10	A_u	671	637	2.36
11	A_u	444	422	218.02
12	A_u	385	366	116.82
13	A_u	38	36	4.87
14	B_g	707	672	0.00
15	B_g	656	624	0.00
16	B_g	412	392	0.00
17	B_u	3722	3537	240.70
18	B_u	3507	3333	267.34
19	B_u	1591	1512	540.41
20	B_u	1453	1381	207.40
21	B_u	1234	1173	74.31
22	B_u	906	861	28.39
23	B_u	454	431	0.56
24	B_u	281	267	27.49

Atom	x (Å)	y (Å)
C1	-0.044	0.766
C2	0.044	-0.766
S3	1.305	1.741
S4	-1.305	-1.741
N5	-1.305	1.213
N6	1.305	-1.213
H7	-2.055	0.520
H8	-1.483	2.210
H9	2.055	-0.520
H10	1.483	-2.210

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5344	1.6639	2.8063	1.3379	2.3943	2.0268	2.0390	2.4617	3.3448
C2	1.5344		2.8063	1.6639	2.3943	1.3379	2.4617	3.3448	2.0268	2.0390
S3	1.6639	2.8063		4.3513	2.6624	2.9536	3.5751	2.8270	2.3826	3.9551
S4	2.8063	1.6639	4.3513		2.9536	2.6624	2.3826	3.9551	3.5751	2.8270
N5	1.3379	2.3943	2.6624	2.9536		3.5623	1.0213	1.0133	3.7806	4.4143
N6	2.3943	1.3379	2.9536	2.6624	3.5623		3.7806	4.4143	1.0213	1.0133
H7	2.0268	2.4617	3.5751	2.3826	1.0213	3.7806		1.7842	4.2405	4.4694
H8	2.0390	3.3448	2.8270	3.9551	1.0133	4.4143	1.7842		4.4694	5.3232
H9	2.4617	2.0268	2.3826	3.5751	3.7806	1.0213	4.2405	4.4694		1.7842
H10	3.3448	2.0390	3.9551	2.8270	4.4143	1.0133	4.4694	5.3232	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.618	C1	C2	N6	112.756
C1	N5	H7	117.816	C1	N5	H8	119.642
C2	C1	S3	122.618	C2	C1	N5	112.756
C2	N6	H9	117.816	C2	N6	H10	119.642
S3	C1	N5	124.626	S4	C2	N6	124.626
H7	N5	H8	122.542	H9	N6	H10	122.542

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)