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	hartrees
Energy at 0K	-983.940276
Energy at 298.15K	-983.946206
HF Energy	-983.940276
Nuclear repulsion energy	335.447273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3615	3566	0.00
2	A_g	3336	3290	0.00
3	A_g	1587	1565	0.00
4	A_g	1396	1377	0.00
5	A_g	1282	1264	0.00
6	A_g	914	902	0.00
7	A_g	668	659	0.00
8	A_g	403	397	0.00
9	A_g	326	321	0.00
10	A_u	669	660	22.83
11	A_u	496	489	283.60
12	A_u	374	369	60.50
13	A_u	58	58	6.79
14	B_g	703	694	0.00
15	B_g	649	640	0.00
16	B_g	470	464	0.00
17	B_u	3617	3568	188.94
18	B_u	3344	3298	235.75
19	B_u	1540	1519	496.59
20	B_u	1405	1386	173.12
21	B_u	1198	1181	108.49
22	B_u	849	838	42.61
23	B_u	439	433	1.66
24	B_u	274	271	32.14

Atom	x (Å)	y (Å)
C1	-0.049	0.766
C2	0.049	-0.766
S3	1.310	1.750
S4	-1.310	-1.750
N5	-1.310	1.210
N6	1.310	-1.210
H7	-2.059	0.505
H8	-1.497	2.208
H9	2.059	-0.505
H10	1.497	-2.208

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5342	1.6780	2.8141	1.3368	2.3976	2.0268	2.0439	2.4610	3.3513
C2	1.5342		2.8141	1.6780	2.3976	1.3368	2.4610	3.3513	2.0268	2.0439
S3	1.6780	2.8141		4.3722	2.6746	2.9603	3.5916	2.8439	2.3761	3.9626
S4	2.8141	1.6780	4.3722		2.9603	2.6746	2.3761	3.9626	3.5916	2.8439
N5	1.3368	2.3976	2.6746	2.9603		3.5661	1.0290	1.0154	3.7798	4.4226
N6	2.3976	1.3368	2.9603	2.6746	3.5661		3.7798	4.4226	1.0290	1.0154
H7	2.0268	2.4610	3.5916	2.3761	1.0290	3.7798		1.7935	4.2397	4.4724
H8	2.0439	3.3513	2.8439	3.9626	1.0154	4.4226	1.7935		4.4724	5.3352
H9	2.4610	2.0268	2.3761	3.5916	3.7798	1.0290	4.2397	4.4724		1.7935
H10	3.3513	2.0439	3.9626	2.8439	4.4226	1.0154	4.4724	5.3352	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.277	C1	C2	N6	113.076
C1	N5	H7	117.312	C1	N5	H8	120.055
C2	C1	S3	122.277	C2	C1	N5	113.076
C2	N6	H9	117.312	C2	N6	H10	120.055
S3	C1	N5	124.647	S4	C2	N6	124.647
H7	N5	H8	122.633	H9	N6	H10	122.633

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: PBEPBE/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	0.101
2	C	0.101
3	S	-0.193
4	S	-0.193
5	N	-0.505
6	N	-0.505
7	H	0.296
8	H	0.300
9	H	0.296
10	H	0.300

	x	y	z
x	14.342	3.118	0.000
y	3.118	13.257	0.000
z	0.000	0.000	4.594

<r²>	258.423
(<r²>)^1/2	16.076

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)