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	hartrees
Energy at 0K	-982.918804
Energy at 298.15K	-982.924937
HF Energy	-982.002197
Nuclear repulsion energy	338.224482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3831	3831	0.00
2	A_g	3650	3650	0.00
3	A_g	1711	1711	0.00
4	A_g	1489	1489	0.00
5	A_g	1393	1393	0.00
6	A_g	1003	1003	0.00
7	A_g	702	702	0.00
8	A_g	433	433	0.00
9	A_g	350	350	0.00
10	A_u	667	667	5.73
11	A_u	519	519	388.94
12	A_u	401	401	44.21
13	A_u	25	25	7.92
14	B_g	726	726	0.00
15	B_g	661	661	0.00
16	B_g	496	496	0.00
17	B_u	3832	3832	201.53
18	B_u	3658	3658	274.51
19	B_u	1674	1674	559.17
20	B_u	1481	1481	439.50
21	B_u	1280	1280	121.76
22	B_u	915	915	76.74
23	B_u	476	476	0.41
24	B_u	294	294	23.93

Atom	x (Å)	y (Å)
C1	-0.045	0.763
C2	0.045	-0.763
S3	1.294	1.735
S4	-1.294	-1.735
N5	-1.294	1.219
N6	1.294	-1.219
H7	-2.056	0.560
H8	-1.458	2.207
H9	2.056	-0.560
H10	1.458	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5296	1.6545	2.7931	1.3292	2.3925	2.0213	2.0203	2.4839	3.3297
C2	1.5296		2.7931	1.6545	2.3925	1.3292	2.4839	3.3297	2.0213	2.0203
S3	1.6545	2.7931		4.3287	2.6387	2.9541	3.5502	2.7925	2.4187	3.9459
S4	2.7931	1.6545	4.3287		2.9541	2.6387	2.4187	3.9459	3.5502	2.7925
N5	1.3292	2.3925	2.6387	2.9541		3.5555	1.0076	1.0019	3.7935	4.3950
N6	2.3925	1.3292	2.9541	2.6387	3.5555		3.7935	4.3950	1.0076	1.0019
H7	2.0213	2.4839	3.5502	2.4187	1.0076	3.7935		1.7523	4.2627	4.4737
H8	2.0203	3.3297	2.7925	3.9459	1.0019	4.3950	1.7523		4.4737	5.2913
H9	2.4839	2.0213	2.4187	3.5502	3.7935	1.0076	4.2627	4.4737		1.7523
H10	3.3297	2.0203	3.9459	2.7925	4.3950	1.0019	4.4737	5.2913	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.564	C1	C2	N6	113.443
C1	N5	H7	119.128	C1	N5	H8	119.491
C2	C1	S3	122.564	C2	C1	N5	113.443
C2	N6	H9	119.128	C2	N6	H10	119.491
S3	C1	N5	123.993	S4	C2	N6	123.993
H7	N5	H8	121.381	H9	N6	H10	121.381

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)