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	hartrees
Energy at 0K	-982.907249
Energy at 298.15K	-982.913167
HF Energy	-982.044666
Nuclear repulsion energy	336.336229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3716	3540	0.00
2	A_g	3495	3329	0.00
3	A_g	1641	1563	0.00
4	A_g	1438	1370	0.00
5	A_g	1336	1273	0.00
6	A_g	966	921	0.00
7	A_g	687	654	0.00
8	A_g	415	395	0.00
9	A_g	336	320	0.00
10	A_u	669	638	2.28
11	A_u	440	419	216.80
12	A_u	383	365	118.23
13	A_u	36	35	4.79
14	B_g	704	671	0.00
15	B_g	654	623	0.00
16	B_g	409	389	0.00
17	B_u	3718	3541	240.53
18	B_u	3503	3337	267.10
19	B_u	1589	1513	538.92
20	B_u	1451	1382	207.84
21	B_u	1233	1175	74.77
22	B_u	904	861	28.84
23	B_u	453	432	0.55
24	B_u	280	267	27.66

Atom	x (Å)	y (Å)
C1	-0.044	0.767
C2	0.044	-0.767
S3	1.306	1.743
S4	-1.306	-1.743
N5	-1.306	1.213
N6	1.306	-1.213
H7	-2.057	0.520
H8	-1.485	2.211
H9	2.057	-0.520
H10	1.485	-2.211

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5361	1.6656	2.8093	1.3387	2.3962	2.0281	2.0403	2.4633	3.3474
C2	1.5361		2.8093	1.6656	2.3962	1.3387	2.4633	3.3474	2.0281	2.0403
S3	1.6656	2.8093		4.3558	2.6648	2.9563	3.5781	2.8294	2.3844	3.9584
S4	2.8093	1.6656	4.3558		2.9563	2.6648	2.3844	3.9584	3.5781	2.8294
N5	1.3387	2.3962	2.6648	2.9563		3.5649	1.0220	1.0140	3.7830	4.4175
N6	2.3962	1.3387	2.9563	2.6648	3.5649		3.7830	4.4175	1.0220	1.0140
H7	2.0281	2.4633	3.5781	2.3844	1.0220	3.7830		1.7855	4.2429	4.4723
H8	2.0403	3.3474	2.8294	3.9584	1.0140	4.4175	1.7855		4.4723	5.3269
H9	2.4633	2.0281	2.3844	3.5781	3.7830	1.0220	4.2429	4.4723		1.7855
H10	3.3474	2.0403	3.9584	2.8294	4.4175	1.0140	4.4723	5.3269	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.620	C1	C2	N6	112.741
C1	N5	H7	117.810	C1	N5	H8	119.633
C2	C1	S3	122.620	C2	C1	N5	112.741
C2	N6	H9	117.810	C2	N6	H10	119.633
S3	C1	N5	124.639	S4	C2	N6	124.639
H7	N5	H8	122.558	H9	N6	H10	122.558

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)