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	hartrees
Energy at 0K	-981.864089
Energy at 298.15K	-981.870747
HF Energy	-981.864089
Nuclear repulsion energy	334.171205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3932	3550	0.00
2	A_g	3770	3404	0.00
3	A_g	1850	1670	0.00
4	A_g	1592	1437	0.00
5	A_g	1499	1354	0.00
6	A_g	1053	951	0.00
7	A_g	706	637	0.00
8	A_g	453	409	0.00
9	A_g	348	314	0.00
10	A_u	939	848	759.91
11	A_u	711	642	0.17
12	A_u	427	386	13.34
13	A_u	26	23	22.86
14	B_g	941	850	0.00
15	B_g	790	713	0.00
16	B_g	697	629	0.00
17	B_u	3933	3551	225.00
18	B_u	3776	3409	309.81
19	B_u	1831	1653	511.17
20	B_u	1566	1414	501.42
21	B_u	1397	1261	204.21
22	B_u	845	763	175.96
23	B_u	501	453	3.09
24	B_u	298	269	27.98

Atom	x (Å)	y (Å)
C1	-0.069	0.759
C2	0.069	-0.759
S3	1.301	1.790
S4	-1.301	-1.790
N5	-1.301	1.207
N6	1.301	-1.207
H7	-2.076	0.578
H8	-1.467	2.186
H9	2.076	-0.578
H10	1.467	-2.186

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5236	1.7147	2.8310	1.3117	2.3959	2.0153	1.9984	2.5268	3.3212
C2	1.5236		2.8310	1.7147	2.3959	1.3117	2.5268	3.3212	2.0153	1.9984
S3	1.7147	2.8310		4.4258	2.6672	2.9967	3.5881	2.7968	2.4911	3.9793
S4	2.8310	1.7147	4.4258		2.9967	2.6672	2.4911	3.9793	3.5881	2.7968
N5	1.3117	2.3959	2.6672	2.9967		3.5497	0.9977	0.9932	3.8197	4.3792
N6	2.3959	1.3117	2.9967	2.6672	3.5497		3.8197	4.3792	0.9977	0.9932
H7	2.0153	2.5268	3.5881	2.4911	0.9977	3.8197		1.7195	4.3094	4.4935
H8	1.9984	3.3212	2.7968	3.9793	0.9932	4.3792	1.7195		4.4935	5.2656
H9	2.5268	2.0153	2.4911	3.5881	3.8197	0.9977	4.3094	4.4935		1.7195
H10	3.3212	1.9984	3.9793	2.7968	4.3792	0.9932	4.4935	5.2656	1.7195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.797	C1	C2	N6	115.148
C1	N5	H7	120.934	C1	N5	H8	119.591
C2	C1	S3	121.797	C2	C1	N5	115.148
C2	N6	H9	120.934	C2	N6	H10	119.591
S3	C1	N5	123.054	S4	C2	N6	123.054
H7	N5	H8	119.474	H9	N6	H10	119.474

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.041
2	C	0.041
3	S	-0.062
4	S	-0.062
5	N	-0.833
6	N	-0.833
7	H	0.437
8	H	0.418
9	H	0.437
10	H	0.418

	x	y	z
x	13.654	3.741	0.000
y	3.741	10.986	0.000
z	0.000	0.000	3.784

<r²>	263.488
(<r²>)^1/2	16.232

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)