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	hartrees
Energy at 0K	-981.426632
Energy at 298.15K	-981.432757
HF Energy	-981.426632
Nuclear repulsion energy	339.360486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3604	3546	0.00
2	A_g	3240	3187	0.00
3	A_g	1613	1587	0.00
4	A_g	1381	1358	0.00
5	A_g	1301	1279	0.00
6	A_g	929	914	0.00
7	A_g	690	679	0.00
8	A_g	409	402	0.00
9	A_g	335	330	0.00
10	A_u	707	696	47.44
11	A_u	541	532	270.64
12	A_u	379	372	53.32
13	A_u	71	70	6.52
14	B_g	734	722	0.00
15	B_g	667	656	0.00
16	B_g	517	509	0.00
17	B_u	3607	3548	228.81
18	B_u	3253	3200	345.47
19	B_u	1557	1532	496.20
20	B_u	1408	1385	249.78
21	B_u	1196	1176	105.22
22	B_u	871	857	36.97
23	B_u	439	432	3.59
24	B_u	290	285	35.29

Atom	x (Å)	y (Å)
C1	-0.051	0.756
C2	0.051	-0.756
S3	1.302	1.721
S4	-1.302	-1.721
N5	-1.302	1.182
N6	1.302	-1.182
H7	-2.028	0.440
H8	-1.508	2.179
H9	2.028	-0.440
H10	1.508	-2.179

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5154	1.6622	2.7752	1.3218	2.3638	2.0017	2.0364	2.3982	3.3230
C2	1.5154		2.7752	1.6622	2.3638	1.3218	2.3982	3.3230	2.0017	2.0364
S3	1.6622	2.7752		4.3166	2.6596	2.9034	3.5678	2.8472	2.2799	3.9053
S4	2.7752	1.6622	4.3166		2.9034	2.6596	2.2799	3.9053	3.5678	2.8472
N5	1.3218	2.3638	2.6596	2.9034		3.5176	1.0378	1.0175	3.7041	4.3810
N6	2.3638	1.3218	2.9034	2.6596	3.5176		3.7041	4.3810	1.0378	1.0175
H7	2.0017	2.3982	3.5678	2.2799	1.0378	3.7041		1.8145	4.1498	4.3999
H8	2.0364	3.3230	2.8472	3.9053	1.0175	4.3810	1.8145		4.3999	5.2993
H9	2.3982	2.0017	2.2799	3.5678	3.7041	1.0378	4.1498	4.3999		1.8145
H10	3.3230	2.0364	3.9053	2.8472	4.3810	1.0175	4.3999	5.2993	1.8145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.642	C1	C2	N6	112.670
C1	N5	H7	115.540	C1	N5	H8	120.484
C2	C1	S3	121.642	C2	C1	N5	112.670
C2	N6	H9	115.540	C2	N6	H10	120.484
S3	C1	N5	125.688	S4	C2	N6	125.688
H7	N5	H8	123.976	H9	N6	H10	123.976

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: SVWN/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	0.111
2	C	0.111
3	S	-0.192
4	S	-0.192
5	N	-0.539
6	N	-0.539
7	H	0.301
8	H	0.318
9	H	0.301
10	H	0.318

	x	y	z
x	14.098	2.945	0.000
y	2.945	13.052	0.000
z	0.000	0.000	4.583

<r²>	252.535
(<r²>)^1/2	15.891

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)