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	hartrees
Energy at 0K	-982.841965
Energy at 298.15K	-982.848032
HF Energy	-981.985213
Nuclear repulsion energy	337.436772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3749	3518	0.00
2	A_g	3586	3366	0.00
3	A_g	1701	1596	0.00
4	A_g	1487	1396	0.00
5	A_g	1390	1305	0.00
6	A_g	998	937	0.00
7	A_g	699	656	0.00
8	A_g	435	408	0.00
9	A_g	349	328	0.00
10	A_u	662	621	4.18
11	A_u	512	481	426.33
12	A_u	397	373	47.73
13	A_u	15	14	8.05
14	B_g	718	674	0.00
15	B_g	656	616	0.00
16	B_g	486	456	0.00
17	B_u	3750	3520	200.35
18	B_u	3593	3372	277.64
19	B_u	1663	1561	585.52
20	B_u	1480	1389	418.33
21	B_u	1277	1199	130.12
22	B_u	910	854	80.00
23	B_u	476	447	0.48
24	B_u	296	278	23.66

Atom	x (Å)	y (Å)
C1	-0.046	0.765
C2	0.046	-0.765
S3	1.295	1.741
S4	-1.295	-1.741
N5	-1.295	1.223
N6	1.295	-1.223
H7	-2.068	0.567
H8	-1.458	2.219
H9	2.068	-0.567
H10	1.458	-2.219

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5321	1.6579	2.7994	1.3304	2.3972	2.0323	2.0271	2.4985	3.3409
C2	1.5321		2.7994	1.6579	2.3972	1.3304	2.4985	3.3409	2.0323	2.0271
S3	1.6579	2.7994		4.3386	2.6405	2.9635	3.5618	2.7939	2.4341	3.9627
S4	2.7994	1.6579	4.3386		2.9635	2.6405	2.4341	3.9627	3.5618	2.7939
N5	1.3304	2.3972	2.6405	2.9635		3.5617	1.0141	1.0091	3.8097	4.4070
N6	2.3972	1.3304	2.9635	2.6405	3.5617		3.8097	4.4070	1.0141	1.0091
H7	2.0323	2.4985	3.5618	2.4341	1.0141	3.8097		1.7605	4.2893	4.4941
H8	2.0271	3.3409	2.7939	3.9627	1.0091	4.4070	1.7605		4.4941	5.3098
H9	2.4985	2.0323	2.4341	3.5618	3.8097	1.0141	4.2893	4.4941		1.7605
H10	3.3409	2.0271	3.9627	2.7939	4.4070	1.0091	4.4941	5.3098	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.653	C1	C2	N6	113.554
C1	N5	H7	119.579	C1	N5	H8	119.469
C2	C1	S3	122.653	C2	C1	N5	113.554
C2	N6	H9	119.579	C2	N6	H10	119.469
S3	C1	N5	123.794	S4	C2	N6	123.794
H7	N5	H8	120.952	H9	N6	H10	120.952

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)