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	hartrees
Energy at 0K	-983.161887
Energy at 298.15K	-983.168188
HF Energy	-982.027400
Nuclear repulsion energy	339.843717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3796	3796	0.00
2	A_g	3609	3609	0.00
3	A_g	1682	1682	0.00
4	A_g	1486	1486	0.00
5	A_g	1393	1393	0.00
6	A_g	1002	1002	0.00
7	A_g	701	701	0.00
8	A_g	426	426	0.00
9	A_g	348	348	0.00
10	A_u	689	689	3.60
11	A_u	571	571	283.23
12	A_u	415	415	46.21
13	A_u	49	49	10.90
14	B_g	765	765	0.00
15	B_g	685	685	0.00
16	B_g	542	542	0.00
17	B_u	3797	3797	226.60
18	B_u	3618	3618	294.64
19	B_u	1643	1643	570.22
20	B_u	1484	1484	405.81
21	B_u	1271	1271	127.58
22	B_u	916	916	70.23
23	B_u	471	471	0.50
24	B_u	294	294	27.72

Atom	x (Å)	y (Å)
C1	-0.048	0.761
C2	0.048	-0.761
S3	1.289	1.724
S4	-1.289	-1.724
N5	-1.289	1.211
N6	1.289	-1.211
H7	-2.048	0.547
H8	-1.457	2.198
H9	2.048	-0.547
H10	1.457	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5251	1.6477	2.7782	1.3201	2.3820	2.0116	2.0124	2.4702	3.3195
C2	1.5251		2.7782	1.6477	2.3820	1.3201	2.4702	3.3195	2.0116	2.0124
S3	1.6477	2.7782		4.3059	2.6287	2.9350	3.5386	2.7861	2.3946	3.9260
S4	2.7782	1.6477	4.3059		2.9350	2.6287	2.3946	3.9260	3.5386	2.7861
N5	1.3201	2.3820	2.6287	2.9350		3.5366	1.0082	1.0016	3.7713	4.3768
N6	2.3820	1.3201	2.9350	2.6287	3.5366		3.7713	4.3768	1.0082	1.0016
H7	2.0116	2.4702	3.5386	2.3946	1.0082	3.7713		1.7539	4.2391	4.4514
H8	2.0124	3.3195	2.7861	3.9260	1.0016	4.3768	1.7539		4.4514	5.2737
H9	2.4702	2.0116	2.3946	3.5386	3.7713	1.0082	4.2391	4.4514		1.7539
H10	3.3195	2.0124	3.9260	2.7861	4.3768	1.0016	4.4514	5.2737	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.191	C1	C2	N6	113.496
C1	N5	H7	118.914	C1	N5	H8	119.541
C2	C1	S3	122.191	C2	C1	N5	113.496
C2	N6	H9	118.914	C2	N6	H10	119.541
S3	C1	N5	124.312	S4	C2	N6	124.312
H7	N5	H8	121.545	H9	N6	H10	121.545

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)