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	hartrees
Energy at 0K	-982.388631
Energy at 298.15K	-982.394908
HF Energy	-981.859117
Nuclear repulsion energy	330.123582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3697	3513	0.00
2	A_g	3518	3342	0.00
3	A_g	1706	1621	0.00
4	A_g	1472	1399	0.00
5	A_g	1370	1302	0.00
6	A_g	977	928	0.00
7	A_g	673	640	0.00
8	A_g	434	412	0.00
9	A_g	342	325	0.00
10	A_u	707	671	610.10
11	A_u	628	597	4.45
12	A_u	391	372	24.33
13	A_u	42	40	12.88
14	B_g	728	691	0.00
15	B_g	671	638	0.00
16	B_g	628	597	0.00
17	B_u	3699	3514	159.40
18	B_u	3523	3347	249.25
19	B_u	1689	1604	377.34
20	B_u	1444	1372	383.33
21	B_u	1283	1219	106.04
22	B_u	851	809	57.67
23	B_u	472	448	1.12
24	B_u	283	269	21.81

Atom	x (Å)	y (Å)
C1	-0.059	0.757
C2	0.059	-0.757
S3	1.324	1.796
S4	-1.324	-1.796
N5	-1.324	1.229
N6	1.324	-1.229
H7	-2.107	0.579
H8	-1.485	2.228
H9	2.107	-0.579
H10	1.485	-2.228

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5194	1.7292	2.8497	1.3501	2.4200	2.0561	2.0488	2.5447	3.3612
C2	1.5194		2.8497	1.7292	2.4200	1.3501	2.5447	3.3612	2.0561	2.0488
S3	1.7292	2.8497		4.4624	2.7076	3.0250	3.6403	2.8415	2.5007	4.0278
S4	2.8497	1.7292	4.4624		3.0250	2.7076	2.5007	4.0278	3.6403	2.8415
N5	1.3501	2.4200	2.7076	3.0250		3.6125	1.0178	1.0124	3.8779	4.4543
N6	2.4200	1.3501	3.0250	2.7076	3.6125		3.8779	4.4543	1.0178	1.0124
H7	2.0561	2.5447	3.6403	2.5007	1.0178	3.8779		1.7631	4.3701	4.5586
H8	2.0488	3.3612	2.8415	4.0278	1.0124	4.4543	1.7631		4.5586	5.3555
H9	2.5447	2.0561	2.5007	3.6403	3.8779	1.0178	4.3701	4.5586		1.7631
H10	3.3612	2.0488	4.0278	2.8415	4.4543	1.0124	4.5586	5.3555	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.490	C1	C2	N6	114.869
C1	N5	H7	119.867	C1	N5	H8	119.586
C2	C1	S3	122.490	C2	C1	N5	114.869
C2	N6	H9	119.867	C2	N6	H10	119.586
S3	C1	N5	122.641	S4	C2	N6	122.641
H7	N5	H8	120.547	H9	N6	H10	120.547

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)