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Geometry for CH5N3S (Hydrazinecarbothioamide) 1A C1

1910171554
InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) INChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N

MP2/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.6071 -1.6841 0.0304   -0.5664 -1.6979 0.0449
N2 -0.8556 -0.7059 -0.0766   -0.8387 -0.7268 -0.0684
S3 1.7597 -0.3494 0.0146   1.7677 -0.3069 0.0109
C4 0.1781 0.1831 -0.0152   0.1736 0.1872 -0.0172
H5 -1.1817 1.7116 -0.0432   -1.2227 1.6824 -0.0515
H6 0.5202 2.1806 -0.0102   0.4676 2.1923 -0.0280
N7 -0.1986 1.4736 -0.0003   -0.2340 1.4684 -0.0104
H8 -2.5834 -0.5941 0.9118   -2.5652 -0.6491 0.9254
H9 -2.7233 -0.6462 -0.7374   -2.7095 -0.7169 -0.7228
N10 -2.1813 -0.2642 0.0350   -2.1742 -0.3163 0.0448
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0149 2.7173 2.0261 3.4448 4.0259 3.1842 2.4229 2.4789 2.1199
N2 1.0149 2.6411 1.3648 2.4397 3.1983 2.2777 1.9936 1.9820 1.4017
S3 2.7173 2.6411 1.6691 3.5921 2.8174 2.6756 4.4415 4.5553 3.9420
C4 2.0261 1.3648 1.6691 2.0461 2.0266 1.3445 3.0148 3.1028 2.4019
H5 3.4448 2.4397 3.5921 2.0461 1.7656 1.0124 2.8623 2.9013 2.2156
H6 4.0259 3.1983 2.8174 2.0266 1.7656 1.0083 4.2639 4.3634 3.6438
N7 3.1842 2.2777 2.6756 1.3445 1.0124 1.0083 3.2854 3.3780 2.6367
H8 2.4229 1.9936 4.4415 3.0148 2.8623 4.2639 3.2854 1.6559 1.0194
H9 2.4789 1.9820 4.5553 3.1028 2.9013 4.3634 3.3780 1.6559 1.0180
N10 2.1199 1.4017 3.9420 2.4019 2.2156 3.6438 2.6367 1.0194 1.0180
Maximum atom distance is 4.5553Å between atoms S3 and H9.
picture of Hydrazinecarbothioamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 S3 120.713 N2 C4 N7 114.425
S3 C4 N7 124.857 C4 N2 N10 120.495
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 115.950 H1 N2 N10 121.795
N2 N10 H8 109.850 N2 N10 H9 108.958
C4 N7 H5 119.820 C4 N7 H6 118.240
H5 N7 H6 121.805 H8 N10 H9 108.732

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.