PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

tc(cp)(c6h6)r   4918 Tc(Cp)(C6H6) (Geo)

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    #  Species Formula
  4908 Mo2(CO)10 dianionC10O10Mo2
  4909 Mo2Cl6O2(2-) (BELWAQ) (Geo)O2Cl6Mo2
  4910 Mo(III)2Cl9(3-) (FAFSOU01) (Geo)Cl9Mo2
  4911 Mo(III)2Cl9(3-) (FAFSOU01)Cl9Mo2
  4912 Mo2Br6O2(2-) (BELWEU) (Geo)O2Br6Mo2
  4913 Mo2Br6O2(2-) (BELWEU)O2Br6Mo2
  4914 Mo2Br9, trianion (Geo)Br9Mo2
  4915 Technetium, 8P(u) stateTc
  4916 Technetium, atomTc
  4917 Tc(Cp)(C6H6)C11H11Tc
  4918 Tc(Cp)(C6H6) (Geo) C11H11Tc
  4919 Tc(Cp)2C (VIXRAV) (Geo)C15H19Tc
  4920 Tc(Cp)2C (VIXRAV)C15H19Tc
  4921 Tc(II)(NH3)6H18N6Tc
  4922 Tc(II)(NH3)6 (Geo)H18N6Tc
  4923 Tc(VII)N6(+) (WACSAU) (Geo)C18H18N6Tc
  4924 Tc(VII)N6(+) (WACSAU)C18H18N6Tc
  4925 Tc(V)N4O(-) (WACRUN) (Geo)C12H12N4OTc
  4926 Tc(V)N4O(-) (WACRUN)C12H12N4OTc
  4927 Tc(III)N4O2(-) (BEWRIE) (Geo)C4H16N4O2Tc
  4928 Tc(III)N4O2(-) (BEWRIE)C4H16N4O2Tc


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Tc(Cp)(C6H6)
 <Tc-C(C6)> <><> <><><> <><><> <><><> <Tc-C(C5)> GR=PW91D
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.24200700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.36882763 +1   65.4681548 +1    0.0000000 +0     1     2     0
  C     1.39680195 +1   74.2925986 +1   99.5488716 +1     2     1     3
  C     1.38273634 +1   72.6356236 +1 -102.6145499 +1     3     1     2
  C     1.46497444 +1  120.2358725 +1   45.3285474 +1     5     3     1
  C     2.29291100 +1  154.7989774 +1   84.4396096 +1     1     2     3
  C     1.43851342 +1   70.8009228 +1  154.3959355 +1     7     1     2
  C     1.43293717 +1   72.8169390 +1 -116.8652472 +1     7     1     8
  C     1.44274402 +1  107.8095231 +1  -63.0270384 +1     8     7     1
  C     1.43995534 +1  107.8203572 +1   -0.3380813 +1    10     8     7
  H     1.08689900 +1  132.9981149 +1  118.5825436 +1     2     1     4
  H     1.08659585 +1  135.4906314 +1 -117.7929853 +1     3     1     5
  H     1.08670515 +1  121.7347393 +1  129.4301353 +1     4     2     1
  H     1.08543155 +1  121.8133274 +1 -178.6949879 +1     5     3     6
  H     1.07826519 +1  119.5520431 +1  179.8453544 +1     6     5     3
  H     1.07361081 +1  126.7793825 +1 -122.3858439 +1     7     1     9
  H     1.07321619 +1  126.0758199 +1 -174.1232551 +1     8     7    10
  H     1.07430636 +1  125.8523256 +1 -121.9150031 +1     9     7     1
  H     1.07297808 +1  125.8192156 +1 -173.4472399 +1    10     8    11
  H     1.07311190 +1  125.8019951 +1 -174.5325257 +1    11    10     8
  C     1.46632268 +1   67.1275869 +1  107.6046635 +1     2     1    12
  H     1.07686472 +1  120.1652889 +1 -128.8757233 +1    22     2     1