%chk=000002236.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002236

0 1
 O   0.7492000       3.375300     -5.0999999E-02
 O    3.121500       3.052400     -0.1476000    
 O   -4.208900      -1.239300      0.2438000    
 O    3.213500      -2.154500       1.200400    
 O    3.212800      -2.365100      -1.062800    
 O   0.6305000      -3.386500      -1.023900    
 O   0.7243000      -3.347000       1.169100    
 N   0.4685000      -2.804400      7.1400002E-02
 C   0.1549000      0.9686000      1.6799999E-02
 C   0.7651000     -0.3186000      1.3700000E-02
 C   -1.292000       1.060500      7.7100001E-02
 C    1.066100       2.045400     -4.1499998E-02
 C   -2.055100     -0.1366000      0.1316000    
 C  -2.8400000E-02  -1.465500      6.8499997E-02
 C    2.170600     -0.4677000     -4.4100001E-02
 C    2.437200       1.876500     -9.7499996E-02
 C   -1.414300      -1.376700      0.1266000    
 C    3.018900      0.6331000     -0.1005000    
 C   -2.032000       2.271100      8.6499996E-02
 C   -3.458900     -9.7000003E-02  0.1910000    
 C    2.042500       3.998700     -0.1180000    
 C   -3.429000       2.298200      0.1456000    
 C   -4.143300       1.112900      0.1983000    
 C    2.902300      -1.734500     -5.2900001E-02
 C   -4.615900      -1.799100      -1.000600    
 H   -1.994000      -2.297900      0.1773000    
 H    4.098400      0.5292000     -0.1453000    
 H   -1.539600       3.236900      4.7499999E-02
 H    2.165800       4.648000      0.7563000    
 H    2.089200       4.616000      -1.022300    
 H   -3.952100       3.250100      0.1506000    
 H   -5.228200       1.137400      0.2454000    
 H   -5.108500      -2.754900     -0.8015000    
 H   -3.757900      -1.979300      -1.656000    
 H   -5.330800      -1.136200      -1.498300    
 H    3.703000      -3.004500       1.190300    


%chk=000002236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002236

0 1
O 0.709603 3.353335 0.052507
O 3.081607 3.176901 0.258187
O -3.999636 -1.492114 -0.515524
O 4.386975 -1.779786 0.330220
O 2.687971 -2.680872 -0.964931
O -0.069434 -3.979655 0.370381
O 1.508862 -2.894321 1.600502
N 0.546323 -2.909629 0.735250
C 0.247598 0.849338 0.033919
C 0.927378 -0.438739 0.115580
C -1.203132 0.936097 -0.152699
C 1.089875 1.986927 0.113280
C -1.954282 -0.289292 -0.228314
C 0.063723 -1.604425 0.213270
C 2.366917 -0.501068 0.102443
C 2.483417 1.894063 0.231138
C -1.302391 -1.541436 0.003962
C 3.152800 0.671116 0.193930
C -1.900851 2.175093 -0.288497
C -3.375299 -0.245568 -0.455280
C 1.948672 4.122565 0.367185
C -3.286135 2.184722 -0.506945
C -4.039034 0.984439 -0.596589
C 3.096418 -1.762866 -0.214669
C -5.449832 -1.528209 -0.732603
H -1.899691 -2.453316 0.070655
H 4.241768 0.608893 0.200205
H -1.356183 3.116975 -0.232197
H 1.878248 4.496460 1.405733
H 2.068463 4.923296 -0.377573
H -3.804704 3.143440 -0.616331
H -5.116900 1.031910 -0.772241
H -5.709487 -2.596268 -0.736911
H -5.716904 -1.072867 -1.705117
H -5.988209 -1.013094 0.085663
H 4.830888 -2.627045 0.056412


