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	hartrees
Energy at 0K	-977.604659
Energy at 298.15K	-977.611126
HF Energy	-977.063631
Nuclear repulsion energy	331.790947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3648	3648	0.00
2	A_g	3471	3471	0.00
3	A_g	1725	1725	0.00
4	A_g	1485	1485	0.00
5	A_g	1375	1375	0.00
6	A_g	952	952	0.00
7	A_g	668	668	0.00
8	A_g	430	430	0.00
9	A_g	340	340	0.00
10	A_u	790	790	565.96
11	A_u	676	676	2.68
12	A_u	409	409	25.23
13	A_u	58	58	18.33
14	B_g	804	804	0.00
15	B_g	721	721	0.00
16	B_g	668	668	0.00
17	B_u	3649	3649	177.78
18	B_u	3480	3480	305.07
19	B_u	1706	1706	420.60
20	B_u	1474	1474	437.31
21	B_u	1306	1306	127.13
22	B_u	825	825	112.19
23	B_u	473	473	3.18
24	B_u	296	296	27.01

Atom	x (Å)	y (Å)
C1	-0.068	0.761
C2	0.068	-0.761
S3	1.317	1.793
S4	-1.317	-1.793
N5	-1.317	1.209
N6	1.317	-1.209
H7	-2.089	0.543
H8	-1.492	2.207
H9	2.089	-0.543
H10	1.492	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5279	1.7272	2.8424	1.3265	2.4083	2.0328	2.0291	2.5212	3.3530
C2	1.5279		2.8424	1.7272	2.4083	1.3265	2.5212	3.3530	2.0328	2.0291
S3	1.7272	2.8424		4.4487	2.6973	3.0021	3.6281	2.8387	2.4604	4.0038
S4	2.8424	1.7272	4.4487		3.0021	2.6973	2.4604	4.0038	3.6281	2.8387
N5	1.3265	2.4083	2.6973	3.0021		3.5756	1.0202	1.0131	3.8305	4.4225
N6	2.4083	1.3265	3.0021	2.6973	3.5756		3.8305	4.4225	1.0202	1.0131
H7	2.0328	2.5212	3.6281	2.4604	1.0202	3.8305		1.7682	4.3178	4.5153
H8	2.0291	3.3530	2.8387	4.0038	1.0131	4.4225	1.7682		4.5153	5.3278
H9	2.5212	2.0328	2.4604	3.6281	3.8305	1.0202	4.3178	4.5153		1.7682
H10	3.3530	2.0291	4.0038	2.8387	4.4225	1.0131	4.5153	5.3278	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.554	C1	C2	N6	114.891
C1	N5	H7	119.477	C1	N5	H8	119.696
C2	C1	S3	121.554	C2	C1	N5	114.891
C2	N6	H9	119.477	C2	N6	H10	119.696
S3	C1	N5	123.555	S4	C2	N6	123.555
H7	N5	H8	120.826	H9	N6	H10	120.826

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)