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	hartrees
Energy at 0K	-981.532691
Energy at 298.15K	-981.538810
HF Energy	-981.532691
Nuclear repulsion energy	339.870630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3581	3537	0.00
2	A_g	3232	3192	0.00
3	A_g	1595	1576	0.00
4	A_g	1377	1360	0.00
5	A_g	1292	1276	0.00
6	A_g	922	910	0.00
7	A_g	688	679	0.00
8	A_g	407	402	0.00
9	A_g	335	331	0.00
10	A_u	697	688	42.86
11	A_u	535	529	260.31
12	A_u	377	373	58.82
13	A_u	63	63	6.66
14	B_g	726	717	0.00
15	B_g	658	650	0.00
16	B_g	513	507	0.00
17	B_u	3583	3539	229.73
18	B_u	3245	3205	374.55
19	B_u	1544	1525	507.87
20	B_u	1396	1379	269.87
21	B_u	1197	1182	120.27
22	B_u	870	859	40.05
23	B_u	444	439	5.11
24	B_u	289	285	33.43

Atom	x (Å)	y (Å)
C1	-0.052	0.756
C2	0.052	-0.756
S3	1.299	1.719
S4	-1.299	-1.719
N5	-1.299	1.182
N6	1.299	-1.182
H7	-2.027	0.444
H8	-1.504	2.178
H9	2.027	-0.444
H10	1.504	-2.178

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5149	1.6590	2.7714	1.3186	2.3622	2.0000	2.0329	2.4002	3.3205
C2	1.5149		2.7714	1.6590	2.3622	1.3186	2.4002	3.3205	2.0000	2.0329
S3	1.6590	2.7714		4.3094	2.6534	2.9010	3.5622	2.8408	2.2825	3.9020
S4	2.7714	1.6590	4.3094		2.9010	2.6534	2.2825	3.9020	3.5622	2.8408
N5	1.3186	2.3622	2.6534	2.9010		3.5131	1.0363	1.0165	3.7027	4.3759
N6	2.3622	1.3186	2.9010	2.6534	3.5131		3.7027	4.3759	1.0363	1.0165
H7	2.0000	2.4002	3.5622	2.2825	1.0363	3.7027		1.8105	4.1505	4.3984
H8	2.0329	3.3205	2.8408	3.9020	1.0165	4.3759	1.8105		4.3984	5.2935
H9	2.4002	2.0000	2.2825	3.5622	3.7027	1.0363	4.1505	4.3984		1.8105
H10	3.3205	2.0329	3.9020	2.8408	4.3759	1.0165	4.3984	5.2935	1.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.592	C1	C2	N6	112.767
C1	N5	H7	115.746	C1	N5	H8	120.501
C2	C1	S3	121.592	C2	C1	N5	112.767
C2	N6	H9	115.746	C2	N6	H10	120.501
S3	C1	N5	125.641	S4	C2	N6	125.641
H7	N5	H8	123.753	H9	N6	H10	123.753

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: LSDA/6-311G**

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	-0.051
2	C	-0.051
3	S	-0.116
4	S	-0.116
5	N	-0.370
6	N	-0.370
7	H	0.261
8	H	0.276
9	H	0.261
10	H	0.276

	x	y	z
x	14.962	3.223	0.000
y	3.223	14.342	0.000
z	0.000	0.000	4.641

<r²>	252.559
(<r²>)^1/2	15.892

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)