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	hartrees
Energy at 0K	-648.574308
Energy at 298.15K	-648.583556
Nuclear repulsion energy	295.917317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3629	3250	0.49
2	A	3552	3180	11.35
3	A	3508	3141	5.30
4	A	3432	3073	5.86
5	A	3347	2997	22.89
6	A	3008	2694	461.49
7	A	1790	1603	8.33
8	A	1735	1554	43.20
9	A	1671	1496	203.24
10	A	1601	1434	239.50
11	A	1416	1268	0.21
12	A	1353	1212	10.98
13	A	1256	1125	11.07
14	A	1240	1110	15.98
15	A	1200	1075	39.12
16	A	1131	1013	96.42
17	A	1088	974	3.84
18	A	968	867	96.57
19	A	933	835	68.24
20	A	785	703	33.53
21	A	630	564	38.69
22	A	584	523	47.93
23	A	539	483	22.08
24	A	472	423	31.74
25	A	349	313	21.38
26	A	327	293	15.63
27	A	211	189	6.02
28	A	175	157	10.82
29	A	138	123	39.47
30	A	77	69	26.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.191	-0.260	-0.011
S2	1.645	-0.965	-0.029
N3	-0.242	1.055	-0.168
N4	0.688	2.156	0.068
N5	-1.058	-1.046	0.266
N6	-2.268	-0.236	-0.051
H7	-2.639	-0.494	-1.014
H8	-3.017	-0.535	0.640
H9	0.328	2.920	-0.590
H10	0.409	2.547	1.030
H11	-1.339	1.012	-0.039
H12	-1.044	-1.950	-0.298

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6152	1.3938	2.4680	1.5018	2.4593	3.0123	3.2848	3.2352	3.0021	1.9903	2.1126
S2	1.6152		2.7674	3.2658	2.7200	3.9795	4.4207	4.7286	4.1397	3.8708	3.5790	2.8759
N3	1.3938	2.7674		1.4601	2.2957	2.4050	2.9772	3.2986	1.9949	2.0213	1.1050	3.1128
N4	2.4680	3.2658	1.4601		3.6526	3.8038	4.3890	4.6142	1.0703	1.0747	2.3290	4.4710
N5	1.5018	2.7200	2.2957	3.6526		1.4897	2.1078	2.0583	4.2876	3.9561	2.1000	1.0650
N6	2.4593	3.9795	2.4050	3.8038	1.4897		1.0643	1.0617	4.1216	4.0100	1.5563	2.1201
H7	3.0123	4.4207	2.9772	4.3890	2.1078	1.0643		1.6967	4.5432	4.7668	2.2164	2.2753
H8	3.2848	4.7286	3.2986	4.6142	2.0583	1.0617	1.6967		4.9635	4.6251	2.3817	2.6021
H9	3.2352	4.1397	1.9949	1.0703	4.2876	4.1216	4.5432	4.9635		1.6641	2.5920	5.0676
H10	3.0021	3.8708	2.0213	1.0747	3.9561	4.0100	4.7668	4.6251	1.6641		2.5600	4.9090
H11	1.9903	3.5790	1.1050	2.3290	2.1000	1.5563	2.2164	2.3817	2.5920	2.5600		2.9881
H12	2.1126	2.8759	3.1128	4.4710	1.0650	2.1201	2.2753	2.6021	5.0676	4.9090	2.9881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	119.699	C1	N3	H11	105.005
C1	N5	N6	110.591	C1	N5	H12	109.607
S2	C1	N3	133.634	S2	C1	N5	121.493
N3	C1	N5	104.840	N3	N4	H9	102.984
N3	N4	H10	104.745	N4	N3	H11	129.941
N5	N6	H7	110.121	N5	N6	H8	106.348
N6	N5	H12	111.086	H7	N6	H8	105.887
H9	N4	H10	101.751

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

using model chemistry: LSDA/STO-3G

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	-0.025
2	S	-0.035
3	N	-0.253
4	N	-0.296
5	N	-0.236
6	N	-0.317
7	H	0.199
8	H	0.210
9	H	0.177
10	H	0.173
11	H	0.215
12	H	0.189

	x	y	z	Total
	-5.874	0.602	-0.698	5.946
CHELPG
AIM
ESP

	x	y	z
x	7.507	-0.584	0.055
y	-0.584	5.904	0.055
z	0.055	0.055	2.429

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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