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	hartrees
Energy at 0K	-52.863033
Energy at 298.15K	-52.868938
HF Energy	-52.406787
Nuclear repulsion energy	111.297955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3708	3583	0.00
2	A_g	3518	3400	0.00
3	A_g	1665	1609	0.00
4	A_g	1409	1361	0.00
5	A_g	1351	1306	0.00
6	A_g	957	925	0.00
7	A_g	647	625	0.00
8	A_g	404	390	0.00
9	A_g	320	309	0.00
10	A_u	626	605	330.83
11	A_u	592	573	361.99
12	A_u	356	344	6.14
13	A_u	37	36	8.84
14	B_g	654	632	0.00
15	B_g	606	585	0.00
16	B_g	549	531	0.00
17	B_u	3710	3585	149.22
18	B_u	3523	3404	223.43
19	B_u	1648	1593	368.61
20	B_u	1390	1343	439.78
21	B_u	1242	1200	93.09
22	B_u	834	806	40.35
23	B_u	441	426	1.36
24	B_u	261	252	20.68

Atom	x (Å)	y (Å)
C1	-0.051	0.776
C2	0.051	-0.776
S3	1.345	1.813
S4	-1.345	-1.813
N5	-1.345	1.255
N6	1.345	-1.255
H7	-2.130	0.595
H8	-1.508	2.263
H9	2.130	-0.595
H10	1.508	-2.263

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5547	1.7389	2.8942	1.3807	2.4645	2.0871	2.0821	2.5751	3.4149
C2	1.5547		2.8942	1.7389	2.4645	1.3807	2.5751	3.4149	2.0871	2.0821
S3	1.7389	2.8942		4.5148	2.7476	3.0682	3.6823	2.8883	2.5319	4.0788
S4	2.8942	1.7389	4.5148		3.0682	2.7476	2.5319	4.0788	3.6823	2.8883
N5	1.3807	2.4645	2.7476	3.0682		3.6801	1.0258	1.0204	3.9367	4.5297
N6	2.4645	1.3807	3.0682	2.7476	3.6801		3.9367	4.5297	1.0258	1.0204
H7	2.0871	2.5751	3.6823	2.5319	1.0258	3.9367		1.7805	4.4223	4.6256
H8	2.0821	3.4149	2.8883	4.0788	1.0204	4.5297	1.7805		4.6256	5.4383
H9	2.5751	2.0871	2.5319	3.6823	3.9367	1.0258	4.4223	4.6256		1.7805
H10	3.4149	2.0821	4.0788	2.8883	4.5297	1.0204	4.6256	5.4383	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.882	C1	C2	N6	114.061
C1	N5	H7	119.555	C1	N5	H8	119.498
C2	C1	S3	122.882	C2	C1	N5	114.061
C2	N6	H9	119.555	C2	N6	H10	119.498
S3	C1	N5	123.057	S4	C2	N6	123.057
H7	N5	H8	120.947	H9	N6	H10	120.947

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)