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	hartrees
Energy at 0K	-656.481564
Energy at 298.15K	-656.490934
Nuclear repulsion energy	302.907726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3561	3507	16.97
2	A	3496	3444	14.39
3	A	3481	3429	34.16
4	A	3452	3400	0.07
5	A	3404	3353	5.87
6	A	3359	3308	55.60
7	A	1635	1610	85.17
8	A	1618	1593	30.43
9	A	1524	1501	65.67
10	A	1472	1449	185.38
11	A	1341	1321	38.25
12	A	1279	1260	17.27
13	A	1253	1234	0.00
14	A	1236	1217	0.10
15	A	1197	1179	96.14
16	A	1122	1105	52.57
17	A	834	821	80.36
18	A	771	760	110.95
19	A	688	678	57.77
20	A	660	650	45.86
21	A	629	620	6.10
22	A	561	553	107.59
23	A	511	503	38.22
24	A	479	472	5.11
25	A	324	319	62.94
26	A	285	280	8.43
27	A	227	224	9.09
28	A	191	189	21.50
29	A	122	120	27.87
30	A	63	62	14.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	-0.218	-0.000
S2	1.272	-1.299	0.000
N3	0.105	1.132	-0.000
N4	1.312	1.772	0.000
N5	-1.277	-0.662	-0.000
N6	-2.339	0.221	0.000
H7	-2.917	0.137	-0.843
H8	-2.916	0.138	0.844
H9	1.479	2.312	-0.851
H10	1.477	2.314	0.851
H11	-0.801	1.626	-0.001
H12	-1.390	-1.679	0.000

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6564	1.3531	2.3742	1.3688	2.3968	3.0736	3.0729	3.0430	3.0433	2.0173	2.0295
S2	1.6564		2.6975	3.0721	2.6279	3.9179	4.5079	4.5072	3.7164	3.7176	3.5855	2.6894
N3	1.3531	2.6975		1.3663	2.2648	2.6079	3.2912	3.2903	2.0005	2.0005	1.0318	3.1848
N4	2.3742	3.0721	1.3663		3.5538	3.9666	4.6119	4.6107	1.0216	1.0216	2.1186	4.3839
N5	1.3688	2.6279	2.2648	3.5538		1.3806	2.0089	2.0090	4.1427	4.1427	2.3364	1.0241
N6	2.3968	3.9179	2.6079	3.9666	1.3806		1.0255	1.0255	4.4348	4.4339	2.0823	2.1241
H7	3.0736	4.5079	3.2912	4.6119	2.0089	1.0255		1.6864	4.9042	5.1875	2.7203	2.5180
H8	3.0729	4.5072	3.2903	4.6107	2.0090	1.0255	1.6864		5.1874	4.9019	2.7199	2.5181
H9	3.0430	3.7164	2.0005	1.0216	4.1427	4.4348	4.9042	5.1874		1.7018	2.5281	4.9889
H10	3.0433	3.7176	2.0005	1.0216	4.1427	4.4339	5.1875	4.9019	1.7018		2.5276	4.9889
H11	2.0173	3.5855	1.0318	2.1186	2.3364	2.0823	2.7203	2.7199	2.5281	2.5276		3.3573
H12	2.0295	2.6894	3.1848	4.3839	1.0241	2.1241	2.5180	2.5181	4.9889	4.9889	3.3573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.628	C1	N3	H11	114.856
C1	N5	N6	121.326	C1	N5	H12	115.259
S2	C1	N3	127.068	S2	C1	N5	120.311
N3	C1	N5	112.621	N3	N4	H9	113.018
N3	N4	H10	113.014	N4	N3	H11	123.517
N5	N6	H7	112.378	N5	N6	H8	112.383
N6	N5	H12	123.415	H7	N6	H8	110.612
H9	N4	H10	112.796

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)

using model chemistry: LSDA/6-31+G**

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	-0.230
2	S	-0.099
3	N	0.038
4	N	-0.820
5	N	-0.085
6	N	-0.786
7	H	0.333
8	H	0.333
9	H	0.319
10	H	0.319
11	H	0.344
12	H	0.334

	x	y	z	Total
	-5.483	3.600	0.000	6.559
CHELPG
AIM
ESP

	x	y	z
x	13.554	-0.939	-0.000
y	-0.939	12.498	-0.001
z	-0.000	-0.001	7.205

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH6N4S (Carbonothioic dihydrazide)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)