%chk=000044363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044363

0 1
 O   -1.072600       2.842600     -3.1000001E-03
 C    1.081000      7.8400001E-02  6.9999998E-04
 C  -0.2405000     -0.5597000      3.9999999E-04
 C   -1.252500      0.4275000     -6.0000003E-04
 C   0.8767000       1.472400      1.4000000E-03
 C    2.408500     -0.4101000       0.000000    
 C  -0.5688000       1.740500     -3.9999999E-04
 C   -2.631100      0.1499000     -6.9999998E-04
 C    3.465400      0.5518000      1.1000000E-03
 C   -2.996100      -1.215600      7.9999998E-04
 C  -0.6302000      -1.887500      2.2000000E-03
 C    1.885200       2.411900      2.4000001E-03
 C   -1.995200      -2.208200      2.3000001E-03
 C    3.188400       1.935100      2.4000001E-03
 C    2.783300      -1.774000     -2.3000001E-03
 C   -3.655000       1.123200     -2.0999999E-03
 C    4.804400      0.1287000      5.0000002E-04
 C   -4.355600      -1.569400      1.4000000E-03
 C    4.122800      -2.173400     -3.1000001E-03
 C   -5.000300      0.7521000     -1.7000000E-03
 C    5.132400      -1.223600     -1.6000000E-03
 C   -5.350200     -0.5926000      1.9999999E-04
 H   7.2600000E-02  -2.708300      4.1000000E-03
 H    1.680700       3.476000      2.7999999E-03
 H   -2.273900      -3.261500      3.7000000E-03
 H    4.002600       2.658300      3.1000001E-03
 H    2.048000      -2.567000     -4.0000002E-03
 H   -3.423200       2.184100     -3.4000000E-03
 H    5.614400      0.8562000      1.4000000E-03
 H   -4.653500      -2.616200      2.7000001E-03
 H    4.371600      -3.230800     -4.9999999E-03
 H   -5.773200       1.515100     -2.7000001E-03
 H    6.173400      -1.532200     -2.3000001E-03
 H   -6.396700     -0.8830000      5.0000002E-04


%chk=000044363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044363

0 1
O -1.136394 2.939171 -0.000341
C 1.094735 0.116956 -0.000787
C -0.254126 -0.550056 -0.000807
C -1.260763 0.450443 -0.000691
C 0.879561 1.513651 -0.000486
C 2.434997 -0.393794 -0.000570
C -0.595728 1.794610 -0.001623
C -2.653775 0.142686 -0.000094
C 3.524765 0.582230 0.000260
C -3.027774 -1.263203 0.000279
C -0.635973 -1.920876 -0.000357
C 1.929927 2.460206 0.000300
C -1.998457 -2.257080 0.000149
C 3.246560 1.989392 0.000708
C 2.782683 -1.789352 -0.000989
C -3.687807 1.139348 -0.000033
C 4.881525 0.115645 0.000670
C -4.417919 -1.617563 0.000767
C 4.114217 -2.206000 -0.000598
C -5.030816 0.756917 0.000446
C 5.176639 -1.247122 0.000269
C -5.401774 -0.628104 0.000857
H 0.102505 -2.724301 -0.000115
H 1.694531 3.528932 0.000407
H -2.293379 -3.313520 0.000578
H 4.089678 2.689575 0.001306
H 1.995605 -2.544680 -0.001744
H -3.396664 2.193703 -0.000361
H 5.689430 0.856861 0.001322
H -4.695470 -2.678367 0.001039
H 4.351273 -3.275485 -0.000987
H -5.814465 1.522567 0.000494
H 6.217325 -1.588650 0.000624
H -6.461870 -0.904040 0.001208


