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	hartrees
Energy at 0K	-601.678686
Energy at 298.15K	-601.686701
Nuclear repulsion energy	226.042159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3616	97.49
2	A	3860	3515	59.07
3	A	3820	3479	94.92
4	A	3812	3471	14.29
5	A	3719	3386	1.66
6	A	1819	1657	65.49
7	A	1758	1601	242.18
8	A	1684	1533	194.30
9	A	1565	1425	67.74
10	A	1421	1294	1.96
11	A	1394	1269	264.30
12	A	1286	1171	19.21
13	A	1104	1005	67.35
14	A	1013	922	120.16
15	A	870	792	58.99
16	A	733	668	0.13
17	A	660	601	1.49
18	A	548	499	35.32
19	A	542	493	3.77
20	A	421	383	2.03
21	A	417	380	266.71
22	A	321	292	11.43
23	A	288	262	11.29
24	A	82	75	14.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.626	-1.652	-0.001
N2	0.864	-0.685	-0.001
S3	-1.753	-0.366	0.000
C4	-0.155	0.189	-0.000
H5	1.116	1.769	-0.001
H6	-0.575	2.144	-0.001
N7	0.164	1.481	0.000
H8	2.657	-0.605	-0.818
H9	2.656	-0.606	0.820
N10	2.186	-0.271	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		0.9958	2.7046	2.0006	3.4566	3.9819	3.1671	2.4272	2.4264	2.0840
N2	0.9958		2.6367	1.3434	2.4677	3.1745	2.2767	1.9723	1.9723	1.3856
S3	2.7046	2.6367		1.6916	3.5770	2.7728	2.6621	4.4921	4.4910	3.9406
C4	2.0006	1.3434	1.6916		2.0282	1.9992	1.3304	3.0351	3.0347	2.3865
H5	3.4566	2.4677	3.5770	2.0282		1.7326	0.9952	2.9459	2.9478	2.3036
H6	3.9819	3.1745	2.7728	1.9992	1.7326		0.9930	4.3214	4.3220	3.6684
N7	3.1671	2.2767	2.6621	1.3304	0.9952	0.9930		3.3522	3.3525	2.6755
H8	2.4272	1.9723	4.4921	3.0351	2.9459	4.3214	3.3522		1.6381	1.0021
H9	2.4264	1.9723	4.4910	3.0347	2.9478	4.3220	3.3525	1.6381		1.0021
N10	2.0840	1.3856	3.9406	2.3865	2.3036	3.6684	2.6755	1.0021	1.0021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.793	H1	N2	N10	121.249
N2	C4	S3	120.198	N2	C4	N7	116.740
N2	N10	H8	110.347	N2	N10	H9	110.352
S3	C4	N7	123.062	C4	N2	N10	121.958
C4	N7	H5	120.736	C4	N7	H6	118.006
H5	N7	H6	121.258	H8	N10	H9	109.633

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/aug-cc-pVDZ

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	-0.042
2	N	-0.173
3	S	-0.075
4	C	0.646
5	H	-0.015
6	H	-0.009
7	N	-0.210
8	H	0.100
9	H	0.100
10	N	-0.321

	x	y	z	Total
	6.412	0.695	-0.004	6.449
CHELPG
AIM
ESP

<r²>	161.113
(<r²>)^1/2	12.693

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)