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	hartrees
Energy at 0K	-982.896637
Energy at 298.15K
HF Energy	-982.007546
Nuclear repulsion energy	337.628030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3818	3553	0.00
2	A_g	3641	3388	0.00
3	A_g	1692	1574	0.00
4	A_g	1467	1365	0.00
5	A_g	1384	1288	0.00
6	A_g	996	926	0.00
7	A_g	698	649	0.00
8	A_g	428	399	0.00
9	A_g	347	323	0.00
10	A_u	630	586	4.73
11	A_u	373	347	121.88
12	A_u	275	256	257.59
13	A_u	93i	87i	3.35
14	B_g	628	585	0.00
15	B_g	588	547	0.00
16	B_g	43i	40i	0.00
17	B_u	3819	3554	205.16
18	B_u	3648	3395	270.57
19	B_u	1661	1546	526.86
20	B_u	1456	1355	538.13
21	B_u	1268	1180	131.25
22	B_u	912	849	75.11
23	B_u	474	441	0.43
24	B_u	288	268	20.75

Atom	x (Å)	y (Å)
C1	-0.044	0.764
C2	0.044	-0.764
S3	1.296	1.736
S4	-1.296	-1.736
N5	-1.296	1.225
N6	1.296	-1.225
H7	-2.063	0.570
H8	-1.461	2.215
H9	2.063	-0.570
H10	1.461	-2.215

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5314	1.6550	2.7965	1.3343	2.3987	2.0290	2.0278	2.4943	3.3379
C2	1.5314		2.7965	1.6550	2.3987	1.3343	2.4943	3.3379	2.0290	2.0278
S3	1.6550	2.7965		4.3328	2.6418	2.9612	3.5560	2.7979	2.4305	3.9547
S4	2.7965	1.6550	4.3328		2.9612	2.6418	2.4305	3.9547	3.5560	2.7979
N5	1.3343	2.3987	2.6418	2.9612		3.5669	1.0090	1.0036	3.8090	4.4086
N6	2.3987	1.3343	2.9612	2.6418	3.5669		3.8090	4.4086	1.0090	1.0036
H7	2.0290	2.4943	3.5560	2.4305	1.0090	3.8090		1.7521	4.2815	4.4919
H8	2.0278	3.3379	2.7979	3.9547	1.0036	4.4086	1.7521		4.4919	5.3068
H9	2.4943	2.0290	2.4305	3.5560	3.8090	1.0090	4.2815	4.4919		1.7521
H10	3.3379	2.0278	3.9547	2.7979	4.4086	1.0036	4.4919	5.3068	1.7521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.672	C1	C2	N6	113.478
C1	N5	H7	119.315	C1	N5	H8	119.639
C2	C1	S3	122.672	C2	C1	N5	113.478
C2	N6	H9	119.315	C2	N6	H10	119.639
S3	C1	N5	123.850	S4	C2	N6	123.850
H7	N5	H8	121.046	H9	N6	H10	121.046

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)