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	hartrees
Energy at 0K	-977.944020
Energy at 298.15K	-977.950400
HF Energy	-977.264313
Nuclear repulsion energy	335.062684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3617	3429	0.00
2	A_g	3427	3249	0.00
3	A_g	1690	1602	0.00
4	A_g	1467	1391	0.00
5	A_g	1333	1264	0.00
6	A_g	936	887	0.00
7	A_g	659	625	0.00
8	A_g	434	411	0.00
9	A_g	345	327	0.00
10	A_u	716	679	503.72
11	A_u	666	631	39.98
12	A_u	400	379	26.84
13	A_u	58	55	13.33
14	B_g	744	706	0.00
15	B_g	671	636	0.00
16	B_g	663	629	0.00
17	B_u	3618	3430	192.57
18	B_u	3434	3255	289.63
19	B_u	1671	1584	365.84
20	B_u	1450	1375	360.86
21	B_u	1288	1221	99.12
22	B_u	897	850	38.80
23	B_u	476	451	1.93
24	B_u	297	281	26.17

Atom	x (Å)	y (Å)
C1	-0.047	0.776
C2	0.047	-0.776
S3	1.309	1.745
S4	-1.309	-1.745
N5	-1.309	1.230
N6	1.309	-1.230
H7	-2.078	0.556
H8	-1.482	2.231
H9	2.078	-0.556
H10	1.482	-2.231

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5543	1.6665	2.8190	1.3410	2.4212	2.0425	2.0442	2.5075	3.3735
C2	1.5543		2.8190	1.6665	2.4212	1.3410	2.5075	3.3735	2.0425	2.0442
S3	1.6665	2.8190		4.3627	2.6672	2.9757	3.5889	2.8329	2.4264	3.9802
S4	2.8190	1.6665	4.3627		2.9757	2.6672	2.4264	3.9802	3.5889	2.8329
N5	1.3410	2.4212	2.6672	2.9757		3.5924	1.0229	1.0157	3.8285	4.4466
N6	2.4212	1.3410	2.9757	2.6672	3.5924		3.8285	4.4466	1.0229	1.0157
H7	2.0425	2.5075	3.5889	2.4264	1.0229	3.8285		1.7778	4.3015	4.5213
H8	2.0442	3.3735	2.8329	3.9802	1.0157	4.4466	1.7778		4.5213	5.3574
H9	2.5075	2.0425	2.4264	3.5889	3.8285	1.0229	4.3015	4.5213		1.7778
H10	3.3735	2.0442	3.9802	2.8329	4.4466	1.0157	4.5213	5.3574	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.109	C1	C2	N6	113.286
C1	N5	H7	118.928	C1	N5	H8	119.677
C2	C1	S3	122.109	C2	C1	N5	113.286
C2	N6	H9	118.928	C2	N6	H10	119.677
S3	C1	N5	124.604	S4	C2	N6	124.604
H7	N5	H8	121.395	H9	N6	H10	121.395

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)