%chk=000005509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005509

0 1
 O   0.7485000       2.377800     -0.4371000    
 O   -5.776500     -0.8666000     -0.7376000    
 O   -3.645700      -1.516900      -1.178900    
 N   -1.679900      0.8458000      7.7200003E-02
 C   -2.562500      5.9700001E-02  0.7710000    
 C  -0.4393000      0.5456000      0.4984000    
 C   -1.835400     -0.7334000       1.630900    
 C  -0.4675000     -0.4126000       1.447700    
 C   -4.022400      0.1304000      0.5547000    
 C   0.7730000       1.202400     -3.5300002E-02
 C   -2.042200       1.819700     -0.9314000    
 C    2.045300      0.4999000     -9.2399999E-02
 C    2.071400     -0.8850000     -0.2571000    
 C    3.239700       1.211500      1.8800000E-02
 C    4.486400     -0.8466000     -0.1989000    
 C    3.291900      -1.558300     -0.3101000    
 C    4.460200      0.5384000     -3.4499999E-02
 C   -4.436400     -0.8457000     -0.5276000    
 C    5.791400      -1.566100     -0.2578000    
 H   -2.243300      -1.460700       2.319200    
 H   0.3624000     -0.8448000       1.989000    
 H   -4.362200       1.135900      0.2911000    
 H   -4.539400     -0.1616000       1.476800    
 H   -1.303600       1.798200      -1.736600    
 H   -3.009000       1.575700      -1.374200    
 H   -2.077000       2.804200     -0.4587000    
 H    1.167300      -1.470800     -0.3942000    
 H    3.242900       2.290100      0.1535000    
 H    3.299900      -2.636000     -0.4507000    
 H    5.384200       1.104000      5.2499998E-02
 H    6.551600      -1.055200      0.3428000    
 H    5.700300      -2.582900      0.1390000    
 H    6.142300      -1.623600      -1.292900    
 H   -6.024700      -1.487200      -1.455700    


%chk=000005509-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005509

0 1
O 0.749358 2.318342 -0.662902
O -5.366137 -1.653823 -0.111553
O -4.672374 -0.187788 -1.773466
N -1.751549 0.887843 -0.026481
C -2.664329 0.140256 0.713317
C -0.443475 0.462429 0.298767
C -1.949136 -0.766166 1.525157
C -0.566608 -0.570346 1.265240
C -4.160806 0.314091 0.603879
C 0.773313 1.123890 -0.196598
C -2.122946 1.925092 -1.012912
C 2.080481 0.383832 -0.126386
C 2.187210 -1.027569 -0.241595
C 3.273124 1.148870 -0.018270
C 4.645147 -0.893845 -0.101463
C 3.453050 -1.651698 -0.230817
C 4.530784 0.519421 0.005690
C -4.740051 -0.486850 -0.560762
C 6.006142 -1.565992 -0.111711
H -2.397406 -1.471880 2.222558
H 0.267204 -1.068192 1.755268
H -4.427729 1.374280 0.446972
H -4.629117 -0.030102 1.538067
H -1.283406 2.086261 -1.700889
H -3.012277 1.595369 -1.573828
H -2.320847 2.887614 -0.507970
H 1.284594 -1.632943 -0.372758
H 3.184664 2.238769 0.041750
H 3.518047 -2.741856 -0.332405
H 5.439542 1.125607 0.105292
H 6.704177 -1.076910 0.591044
H 5.934695 -2.633065 0.161275
H 6.466007 -1.511711 -1.117824
H -5.697648 -2.175928 -0.892785


