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	hartrees
Energy at 0K	-53.402699
Energy at 298.15K
HF Energy	-52.546328
Nuclear repulsion energy	114.167759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3698	3524	0.00
2	A_g	3511	3346	0.00
3	A_g	1653	1575	0.00
4	A_g	1441	1373	0.00
5	A_g	1337	1273	0.00
6	A_g	960	915	0.00
7	A_g	676	644	0.00
8	A_g	416	397	0.00
9	A_g	333	317	0.00
10	A_u	634	604	1.88
11	A_u	358	341	73.80
12	A_u	246	235	354.17
13	A_u	95i	91i	8.38
14	B_g	640	609	0.00
15	B_g	623	594	0.00
16	B_g	170	162	0.00
17	B_u	3700	3525	193.99
18	B_u	3516	3350	245.35
19	B_u	1621	1545	466.12
20	B_u	1430	1363	358.88
21	B_u	1228	1170	96.72
22	B_u	896	853	29.87
23	B_u	452	431	0.50
24	B_u	277	264	22.70

Atom	x (Å)	y (Å)
C1	-0.040	0.770
C2	0.040	-0.770
S3	1.308	1.750
S4	-1.308	-1.750
N5	-1.308	1.229
N6	1.308	-1.229
H7	-2.078	0.562
H8	-1.475	2.229
H9	2.078	-0.562
H10	1.475	-2.229

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5418	1.6671	2.8209	1.3480	2.4111	2.0482	2.0460	2.5024	3.3597
C2	1.5418		2.8209	1.6671	2.4111	1.3480	2.5024	3.3597	2.0482	2.0460
S3	1.6671	2.8209		4.3699	2.6671	2.9794	3.5884	2.8236	2.4373	3.9826
S4	2.8209	1.6671	4.3699		2.9794	2.6671	2.4373	3.9826	3.5884	2.8236
N5	1.3480	2.4111	2.6671	2.9794		3.5895	1.0190	1.0135	3.8305	4.4385
N6	2.4111	1.3480	2.9794	2.6671	3.5895		3.8305	4.4385	1.0190	1.0135
H7	2.0482	2.5024	3.5884	2.4373	1.0190	3.8305		1.7725	4.3055	4.5180
H8	2.0460	3.3597	2.8236	3.9826	1.0135	4.4385	1.7725		4.5180	5.3452
H9	2.5024	2.0482	2.4373	3.5884	3.8305	1.0190	4.3055	4.5180		1.7725
H10	3.3597	2.0460	3.9826	2.8236	4.4385	1.0135	4.5180	5.3452	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	123.020	C1	C2	N6	112.927
C1	N5	H7	119.186	C1	N5	H8	119.413
C2	C1	S3	123.020	C2	C1	N5	112.927
C2	N6	H9	119.186	C2	N6	H10	119.413
S3	C1	N5	124.053	S4	C2	N6	124.053
H7	N5	H8	121.402	H9	N6	H10	121.402

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)