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	hartrees
Energy at 0K	-983.258000
Energy at 298.15K
HF Energy	-982.070357
Nuclear repulsion energy	337.683662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3740	3542	0.00
2	A_g	3567	3378	0.00
3	A_g	1688	1598	0.00
4	A_g	1475	1397	0.00
5	A_g	1350	1279	0.00
6	A_g	974	923	0.00
7	A_g	689	653	0.00
8	A_g	425	402	0.00
9	A_g	341	323	0.00
10	A_u	638	604	0.64
11	A_u	382	362	7.49
12	A_u	342	324	473.33
13	A_u	55i	52i	0.63
14	B_g	660	625	0.00
15	B_g	635	601	0.00
16	B_g	294	279	0.00
17	B_u	3741	3544	184.09
18	B_u	3571	3382	258.65
19	B_u	1656	1568	451.53
20	B_u	1461	1384	383.70
21	B_u	1255	1189	117.56
22	B_u	911	863	38.93
23	B_u	467	443	1.18
24	B_u	283	268	21.58

Atom	x (Å)	y (Å)
C1	-0.042	0.764
C2	0.042	-0.764
S3	1.296	1.737
S4	-1.296	-1.737
N5	-1.296	1.221
N6	1.296	-1.221
H7	-2.066	0.566
H8	-1.463	2.214
H9	2.066	-0.566
H10	1.463	-2.214

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5310	1.6538	2.7976	1.3346	2.3944	2.0334	2.0300	2.4924	3.3369
C2	1.5310		2.7976	1.6538	2.3944	1.3346	2.4924	3.3369	2.0334	2.0300
S3	1.6538	2.7976		4.3335	2.6424	2.9580	3.5596	2.8002	2.4278	3.9538
S4	2.7976	1.6538	4.3335		2.9580	2.6424	2.4278	3.9538	3.5596	2.8002
N5	1.3346	2.3944	2.6424	2.9580		3.5615	1.0111	1.0063	3.8072	4.4061
N6	2.3944	1.3346	2.9580	2.6424	3.5615		3.8072	4.4061	1.0111	1.0063
H7	2.0334	2.4924	3.5596	2.4278	1.0111	3.8072		1.7544	4.2836	4.4923
H8	2.0300	3.3369	2.8002	3.9538	1.0063	4.4061	1.7544		4.4923	5.3073
H9	2.4924	2.0334	2.4278	3.5596	3.8072	1.0111	4.2836	4.4923		1.7544
H10	3.3369	2.0300	3.9538	2.8002	4.4061	1.0063	4.4923	5.3073	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.864	C1	C2	N6	113.173
C1	N5	H7	119.556	C1	N5	H8	119.613
C2	C1	S3	122.864	C2	C1	N5	113.173
C2	N6	H9	119.556	C2	N6	H10	119.613
S3	C1	N5	123.963	S4	C2	N6	123.963
H7	N5	H8	120.831	H9	N6	H10	120.831

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)