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	hartrees
Energy at 0K	-982.936003
Energy at 298.15K	-982.942031
HF Energy	-982.045894
Nuclear repulsion energy	336.449560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3764	3568	0.00
2	A_g	3564	3378	0.00
3	A_g	1669	1582	0.00
4	A_g	1458	1382	0.00
5	A_g	1374	1303	0.00
6	A_g	988	937	0.00
7	A_g	693	657	0.00
8	A_g	418	396	0.00
9	A_g	339	322	0.00
10	A_u	672	637	1.90
11	A_u	473	449	263.30
12	A_u	393	372	81.00
13	A_u	36	34	6.63
14	B_g	717	680	0.00
15	B_g	658	624	0.00
16	B_g	444	421	0.00
17	B_u	3766	3570	219.78
18	B_u	3573	3387	272.50
19	B_u	1623	1538	612.25
20	B_u	1464	1388	319.13
21	B_u	1258	1192	99.03
22	B_u	906	858	61.67
23	B_u	461	437	0.35
24	B_u	284	269	27.58

Atom	x (Å)	y (Å)
C1	-0.047	0.769
C2	0.047	-0.769
S3	1.302	1.745
S4	-1.302	-1.745
N5	-1.302	1.218
N6	1.302	-1.218
H7	-2.059	0.537
H8	-1.475	2.213
H9	2.059	-0.537
H10	1.475	-2.213

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5403	1.6658	2.8100	1.3331	2.4013	2.0252	2.0309	2.4780	3.3478
C2	1.5403		2.8100	1.6658	2.4013	1.3331	2.4780	3.3478	2.0252	2.0309
S3	1.6658	2.8100		4.3555	2.6576	2.9630	3.5720	2.8160	2.4045	3.9625
S4	2.8100	1.6658	4.3555		2.9630	2.6576	2.4045	3.9625	3.5720	2.8160
N5	1.3331	2.4013	2.6576	2.9630		3.5656	1.0178	1.0105	3.7917	4.4138
N6	2.4013	1.3331	2.9630	2.6576	3.5656		3.7917	4.4138	1.0178	1.0105
H7	2.0252	2.4780	3.5720	2.4045	1.0178	3.7917		1.7753	4.2557	4.4777
H8	2.0309	3.3478	2.8160	3.9625	1.0105	4.4138	1.7753		4.4777	5.3190
H9	2.4780	2.0252	2.4045	3.5720	3.7917	1.0178	4.2557	4.4777		1.7753
H10	3.3478	2.0309	3.9625	2.8160	4.4138	1.0105	4.4777	5.3190	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.392	C1	C2	N6	113.184
C1	N5	H7	118.353	C1	N5	H8	119.490
C2	C1	S3	122.392	C2	C1	N5	113.184
C2	N6	H9	118.353	C2	N6	H10	119.490
S3	C1	N5	124.424	S4	C2	N6	124.424
H7	N5	H8	122.157	H9	N6	H10	122.157

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)