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	hartrees
Energy at 0K	-600.461488
Energy at 298.15K	-600.469296
Nuclear repulsion energy	221.415470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3534	61.56
2	A	3373	3351	10.78
3	A	3346	3324	49.44
4	A	3320	3298	0.86
5	A	3222	3201	8.22
6	A	1672	1661	11.13
7	A	1565	1555	176.34
8	A	1445	1436	125.73
9	A	1394	1385	83.93
10	A	1266	1258	149.82
11	A	1251	1243	1.18
12	A	1102	1095	53.94
13	A	955	949	27.94
14	A	814	808	13.90
15	A	736	731	77.35
16	A	735	730	111.27
17	A	616	612	7.78
18	A	532	528	354.28
19	A	487	484	1.19
20	A	485	482	1.55
21	A	369	367	3.27
22	A	321	318	11.84
23	A	296	294	17.60
24	A	116	115	20.42

Atom	x (Å)	y (Å)	z (Å)
H1	-0.593	-1.731	-0.001
N2	-0.849	-0.736	-0.000
S3	1.797	-0.340	0.000
C4	0.188	0.189	-0.000
H5	-1.237	1.655	0.001
H6	0.473	2.230	0.001
N7	-0.222	1.486	-0.000
H8	-2.714	-0.607	0.851
H9	-2.714	-0.605	-0.851
N10	-2.227	-0.268	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0273	2.7654	2.0728	3.4468	4.1022	3.2382	2.5468	2.5473	2.1933
N2	1.0273		2.6751	1.3894	2.4225	3.2474	2.3086	2.0540	2.0540	1.4556
S3	2.7654	2.6751		1.6937	3.6307	2.8912	2.7219	4.5978	4.5979	4.0246
C4	2.0728	1.3894	1.6937		2.0441	2.0610	1.3600	3.1267	3.1263	2.4578
H5	3.4468	2.4225	3.6307	2.0441		1.8035	1.0287	2.8321	2.8310	2.1632
H6	4.1022	3.2474	2.8912	2.0610	1.8035		1.0182	4.3501	4.3495	3.6783
N7	3.2382	2.3086	2.7219	1.3600	1.0287	1.0182		3.3633	3.3621	2.6639
H8	2.5468	2.0540	4.5978	3.1267	2.8321	4.3501	3.3633		1.7015	1.0367
H9	2.5473	2.0540	4.5979	3.1263	2.8310	4.3495	3.3621	1.7015		1.0367
N10	2.1933	1.4556	4.0246	2.4578	2.1632	3.6783	2.6639	1.0367	1.0367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.336	H1	N2	N10	123.171
N2	C4	S3	120.055	N2	C4	N7	114.210
N2	N10	H8	109.861	N2	N10	H9	109.862
S3	C4	N7	125.735	C4	N2	N10	119.493
C4	N7	H5	117.012	C4	N7	H6	119.442
H5	N7	H6	123.546	H8	N10	H9	110.291

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/3-21G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.312
2	N	-0.506
3	S	-0.234
4	C	0.401
5	H	0.308
6	H	0.316
7	N	-0.696
8	H	0.288
9	H	0.288
10	N	-0.477

	x	y	z	Total
	-6.155	0.232	0.002	6.159
CHELPG
AIM
ESP

<r²>	165.108
(<r²>)^1/2	12.849

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)