%chk=000064042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064042

0 1
 O   -2.198600      0.6510000     -0.1826000    
 O    1.463500       2.568200      0.2325000    
 N   0.1828000      0.5988000      5.3199999E-02
 N    1.316600      -1.493500     -0.1599000    
 N   -3.262400       1.544500     -0.2150000    
 C   0.2186000     -0.8080000     -6.1600000E-02
 C    2.625500      0.5594000      6.9300003E-02
 C    1.376100       1.345300      0.1489000    
 C    2.541700     -0.8213000     -0.1107000    
 C   -1.035400      -1.596500      7.7000000E-03
 C   -1.048700       1.343100     -7.8999996E-03
 C    3.871000       1.195200      0.1424000    
 C    3.723900      -1.564100     -0.2157000    
 C   -1.309500       2.679000      7.8100003E-02
 C   -1.529600      -1.995300       1.244300    
 C   -1.704200      -1.930100      -1.164400    
 C    5.040400      0.4434000      3.6899999E-02
 C   -2.706800       2.749300     -5.7200000E-02
 C    4.967600     -0.9354000     -0.1434000    
 C   -2.708900      -2.737400       1.309800    
 C   -2.883500      -2.672300      -1.098900    
 C   -3.385800      -3.075900      0.1381000    
 C   -3.554200       3.952500     -4.4100001E-02
 H    3.950800       2.270200      0.2780000    
 H    3.682000      -2.642300     -0.3509000    
 H  -0.6390000       3.511700      0.2196000    
 H   -1.009300      -1.735500       2.162200    
 H   -1.320200      -1.620200      -2.132600    
 H    6.008000      0.9335000      9.3300000E-02
 H    5.877900      -1.522000     -0.2255000    
 H   -3.100200      -3.051200       2.273000    
 H   -3.410700      -2.935600      -2.011200    
 H   -4.304100      -3.653500      0.1891000    
 H   -2.957300       4.859400      9.7599998E-02
 H   -4.097600       4.053600     -0.9893000    
 H   -4.285300       3.902500      0.7695000    


%chk=000064042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064042

0 1
O -1.802565 1.076382 -1.110489
O 1.430638 2.537401 0.728160
N 0.199936 0.611400 0.114141
N 1.306102 -1.479637 -0.356863
N -2.912671 2.041897 -1.114055
C 0.194850 -0.806517 -0.108010
C 2.656886 0.552762 0.056349
C 1.448151 1.335379 0.349630
C 2.540376 -0.815485 -0.346257
C -1.076582 -1.569949 0.016056
C -0.973240 1.387651 -0.021994
C 3.932942 1.169894 0.135049
C 3.714648 -1.543293 -0.683284
C -1.458251 2.497559 0.642628
C -2.069589 -1.239031 0.976205
C -1.253440 -2.718397 -0.798652
C 5.084300 0.439871 -0.202878
C -2.658090 2.866263 -0.066056
C 4.970790 -0.918330 -0.616509
C -3.223985 -2.038182 1.105785
C -2.414296 -3.507170 -0.675247
C -3.405613 -3.168832 0.275964
C -3.597382 4.003593 0.219980
H 3.986318 2.216827 0.450440
H 3.605022 -2.590550 -0.979658
H -1.013731 2.994473 1.497964
H -1.935416 -0.375802 1.636709
H -0.470342 -2.975629 -1.517840
H 6.069972 0.913447 -0.149271
H 5.872843 -1.482366 -0.877582
H -3.980678 -1.779477 1.854169
H -2.547364 -4.383381 -1.318810
H -4.308887 -3.781373 0.371884
H -4.013839 3.925373 1.240134
H -3.071745 4.972340 0.145595
H -4.430969 4.001386 -0.500785


