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	hartrees
Energy at 0K	-600.355435
Energy at 298.15K	-600.363242
Nuclear repulsion energy	219.948806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3554	3534	64.94
2	A	3373	3354	12.31
3	A	3346	3327	48.10
4	A	3322	3303	0.56
5	A	3223	3206	6.67
6	A	1672	1663	14.59
7	A	1569	1560	186.37
8	A	1444	1436	105.72
9	A	1419	1411	87.61
10	A	1259	1252	130.85
11	A	1252	1245	1.32
12	A	1105	1099	50.86
13	A	958	953	23.17
14	A	796	791	20.44
15	A	736	732	76.18
16	A	729	725	110.14
17	A	607	604	12.46
18	A	544	541	355.18
19	A	493	490	0.21
20	A	473	470	1.03
21	A	355	353	4.87
22	A	326	324	15.28
23	A	285	284	16.80
24	A	123	123	17.73

Atom	x (Å)	y (Å)	z (Å)
H1	0.584	-1.728	-0.000
N2	0.853	-0.736	-0.001
S3	-1.823	-0.338	0.000
C4	-0.163	0.199	-0.000
H5	1.257	1.662	-0.000
H6	-0.453	2.235	0.000
N7	0.242	1.490	-0.000
H8	2.719	-0.629	-0.850
H9	2.718	-0.629	0.852
N10	2.238	-0.283	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0275	2.7802	2.0667	3.4558	4.0964	3.2363	2.5470	2.5467	2.1960
N2	1.0275		2.7053	1.3807	2.4317	3.2451	2.3085	2.0536	2.0536	1.4574
S3	2.7802	2.7053		1.7443	3.6719	2.9148	2.7579	4.6306	4.6294	4.0612
C4	2.0667	1.3807	1.7443		2.0389	2.0566	1.3536	3.1174	3.1165	2.4489
H5	3.4558	2.4317	3.6719	2.0389		1.8028	1.0289	2.8480	2.8476	2.1780
H6	4.0964	3.2451	2.9148	2.0566	1.8028		1.0185	4.3575	4.3565	3.6846
N7	3.2363	2.3085	2.7579	1.3536	1.0289	1.0185		3.3691	3.3683	2.6693
H8	2.5470	2.0536	4.6306	3.1174	2.8480	4.3575	3.3691		1.7013	1.0368
H9	2.5467	2.0536	4.6294	3.1165	2.8476	4.3565	3.3683	1.7013		1.0368
N10	2.1960	1.4574	4.0612	2.4489	2.1780	3.6846	2.6693	1.0368	1.0368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.483	H1	N2	N10	123.261
N2	C4	S3	119.478	N2	C4	N7	115.183
N2	N10	H8	109.688	N2	N10	H9	109.690
S3	C4	N7	125.339	C4	N2	N10	119.256
C4	N7	H5	117.037	C4	N7	H6	119.554
H5	N7	H6	123.409	H8	N10	H9	110.259

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	0.315
2	N	-0.488
3	S	-0.104
4	C	0.226
5	H	0.310
6	H	0.320
7	N	-0.681
8	H	0.290
9	H	0.290
10	N	-0.477

	x	y	z	Total
	6.554	0.299	0.003	6.561
CHELPG
AIM
ESP

<r²>	167.546
(<r²>)^1/2	12.944

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)