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	hartrees
Energy at 0K	-656.513977
Energy at 298.15K	-656.524339
Nuclear repulsion energy	300.529455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3911	3522	21.53
2	A	3899	3511	109.48
3	A	3883	3496	16.48
4	A	3880	3493	68.05
5	A	3775	3399	4.93
6	A	3760	3386	4.74
7	A	1873	1686	36.29
8	A	1856	1671	52.80
9	A	1704	1534	204.41
10	A	1684	1516	140.45
11	A	1522	1370	123.90
12	A	1446	1302	2.12
13	A	1402	1262	152.66
14	A	1393	1255	0.40
15	A	1312	1181	29.24
16	A	1189	1071	52.54
17	A	989	890	154.28
18	A	871	784	292.93
19	A	827	745	217.37
20	A	770	694	75.58
21	A	690	622	127.18
22	A	683	615	52.09
23	A	623	561	27.25
24	A	489	440	0.22
25	A	409	368	49.40
26	A	297	267	9.56
27	A	272	245	26.12
28	A	254	229	8.21
29	A	230	207	11.70
30	A	165	149	7.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.034	-0.175	0.000
S2	1.305	-1.274	0.000
N3	0.085	1.160	0.000
N4	1.306	1.841	-0.000
N5	-1.305	-0.657	-0.000
N6	-2.414	0.190	-0.000
H7	-2.950	0.153	-0.841
H8	-2.949	0.154	0.842
H9	1.835	1.653	-0.829
H10	1.835	1.654	0.829
H11	-0.732	1.727	-0.000
H12	-1.418	-1.646	-0.000

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.7320	1.3406	2.4214	1.3587	2.4071	3.0523	3.0517	2.7425	2.7434	2.0263	2.0197
S2	1.7320		2.7226	3.1148	2.6813	3.9960	4.5657	4.5653	3.0872	3.0887	3.6269	2.7486
N3	1.3406	2.7226		1.3988	2.2875	2.6800	3.3063	3.3051	1.9982	1.9982	0.9944	3.1833
N4	2.4214	3.1148	1.3988		3.6138	4.0701	4.6557	4.6546	1.0004	1.0004	2.0419	4.4255
N5	1.3587	2.6813	2.2875	3.6138		1.3953	2.0176	2.0176	3.9848	3.9855	2.4521	0.9953
N6	2.4071	3.9960	2.6800	4.0701	1.3953		0.9984	0.9984	4.5690	4.5693	2.2783	2.0881
H7	3.0523	4.5657	3.3063	4.6557	2.0176	0.9984		1.6832	5.0144	5.2854	2.8468	2.5076
H8	3.0517	4.5653	3.3051	4.6546	2.0176	0.9984	1.6832		5.2842	5.0134	2.8458	2.5083
H9	2.7425	3.0872	1.9982	1.0004	3.9848	4.5690	5.0144	5.2842		1.6570	2.6985	4.7064
H10	2.7434	3.0887	1.9982	1.0004	3.9855	4.5693	5.2854	5.0134	1.6570		2.6983	4.7075
H11	2.0263	3.6269	0.9944	2.0419	2.4521	2.2783	2.8468	2.8458	2.6985	2.6983		3.4422
H12	2.0197	2.7486	3.1833	4.4255	0.9953	2.0881	2.5076	2.5083	4.7064	4.7075	3.4422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	124.220	C1	N3	H11	119.678
C1	N5	N6	121.851	C1	N5	H12	117.341
S2	C1	N3	124.275	S2	C1	N5	119.859
N3	C1	N5	115.866	N3	N4	H9	111.712
N3	N4	H10	111.710	N4	N3	H11	116.102
N5	N6	H7	113.856	N5	N6	H8	113.854
N6	N5	H12	120.808	H7	N6	H8	114.906
H9	N4	H10	111.829

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

using model chemistry: HF/SDD

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	0.049
2	S	-0.158
3	N	-0.427
4	N	-0.556
5	N	-0.438
6	N	-0.644
7	H	0.341
8	H	0.341
9	H	0.333
10	H	0.333
11	H	0.430
12	H	0.398

	x	y	z	Total
	-5.276	1.502	0.001	5.485
CHELPG
AIM
ESP

	x	y	z
x	9.444	-1.297	0.000
y	-1.297	7.461	0.001
z	0.000	0.001	4.287

<r²>	221.601
(<r²>)^1/2	14.886

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

using model chemistry: HF/SDD

States and conformations

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