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	hartrees
Energy at 0K	-984.334621
Energy at 298.15K	-984.340745
HF Energy	-984.334621
Nuclear repulsion energy	329.117803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3585	3557	0.00
2	A_g	3358	3333	0.00
3	A_g	1615	1603	0.00
4	A_g	1419	1408	0.00
5	A_g	1297	1287	0.00
6	A_g	905	898	0.00
7	A_g	646	641	0.00
8	A_g	404	401	0.00
9	A_g	320	318	0.00
10	A_u	716	711	460.89
11	A_u	630	625	52.91
12	A_u	376	374	23.87
13	A_u	62	61	12.77
14	B_g	734	729	0.00
15	B_g	646	641	0.00
16	B_g	629	624	0.00
17	B_u	3587	3559	133.08
18	B_u	3362	3336	152.37
19	B_u	1593	1581	415.51
20	B_u	1395	1384	174.17
21	B_u	1227	1217	106.36
22	B_u	780	774	47.92
23	B_u	439	436	2.02
24	B_u	267	265	27.88

Atom	x (Å)	y (Å)
C1	-0.062	0.759
C2	0.062	-0.759
S3	1.330	1.803
S4	-1.330	-1.803
N5	-1.330	1.223
N6	1.330	-1.223
H7	-2.104	0.548
H8	-1.505	2.225
H9	2.104	-0.548
H10	1.505	-2.225

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5236	1.7402	2.8588	1.3496	2.4222	2.0525	2.0560	2.5302	3.3703
C2	1.5236		2.8588	1.7402	2.4222	1.3496	2.5302	3.3703	2.0525	2.0560
S3	1.7402	2.8588		4.4811	2.7224	3.0260	3.6562	2.8657	2.4752	4.0315
S4	2.8588	1.7402	4.4811		3.0260	2.7224	2.4752	4.0315	3.6562	2.8657
N5	1.3496	2.4222	2.7224	3.0260		3.6133	1.0270	1.0168	3.8635	4.4631
N6	2.4222	1.3496	3.0260	2.7224	3.6133		3.8635	4.4631	1.0270	1.0168
H7	2.0525	2.5302	3.6562	2.4752	1.0270	3.8635		1.7806	4.3482	4.5506
H8	2.0560	3.3703	2.8657	4.0315	1.0168	4.4631	1.7806		4.5506	5.3712
H9	2.5302	2.0525	2.4752	3.6562	3.8635	1.0270	4.3482	4.5506		1.7806
H10	3.3703	2.0560	4.0315	2.8657	4.4631	1.0168	4.5506	5.3712	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.162	C1	C2	N6	114.788
C1	N5	H7	118.821	C1	N5	H8	119.983
C2	C1	S3	122.162	C2	C1	N5	114.788
C2	N6	H9	118.821	C2	N6	H10	119.983
S3	C1	N5	123.050	S4	C2	N6	123.050
H7	N5	H8	121.195	H9	N6	H10	121.195

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: BLYP/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	-0.011
2	C	-0.011
3	S	-0.056
4	S	-0.056
5	N	-0.600
6	N	-0.600
7	H	0.335
8	H	0.332
9	H	0.335
10	H	0.332

	x	y	z
x	14.540	3.628	0.000
y	3.628	13.426	0.000
z	0.000	0.000	3.936

<r²>	268.498
(<r²>)^1/2	16.386

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)