Geometric Data
Point Group C1
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description |
Value |
unc. |
Connectivity |
Reference |
Comment |
Atom 1 |
Atom 2 |
Atom 3 |
Atom 4 |
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for CH
5N
3S (Hydrazinecarbothioamide).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
H-N |
5 |
C-N |
2 |
C=S |
1 |
N-N |
1 |
Connectivity
Atom 1 |
Atom 2 |
H1 |
N2 |
N2 |
C4 |
N2 |
N10 |
S3 |
C4 |
C4 |
N7 |
H5 |
N7 |
H6 |
N7 |
H8 |
N10 |
H9 |
N10 |
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
1A |
C1 |
True |
|
|
|
|
|
|
C1 |
3 |
5 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
CH
5N
3S (Hydrazinecarbothioamide).
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
1 |
1 |
1A |
C1 |
True |
|
|
|
|
|
C1 |
3 |
5 |
Calculated electric quadrupole moments for
CH
5N
3S (Hydrazinecarbothioamide).