%chk=000048406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048406

0 1
 O   0.4185000       1.731000       1.529400    
 O  -0.1559000      -2.650200      0.1394000    
 O    3.508200     -0.3044000      -1.280300    
 N    1.912200      0.8418000     -1.8999999E-02
 N    1.635600      -1.430400     -0.6121000    
 C  -0.2787000     -0.2371000      0.3183000    
 C   -1.027000      0.2309000     -0.9239000    
 C   -2.189800     -0.7003000      -1.298900    
 C   -1.286100     -0.4531000       1.458700    
 C   -1.724800       1.535800     -0.6916000    
 C   -3.460800     -3.6200002E-02 -0.7664000    
 C   0.7059000      0.8670000      0.6990000    
 C   0.3883000      -1.559200     -2.3800001E-02
 C   -3.050400       1.388500     -0.6089000    
 C  -0.5939000     -0.9536000       2.707400    
 C    2.422700     -0.2839000     -0.6941000    
 C    2.776000       2.013300      6.6699997E-02
 H  -0.3520000      0.3259000      -1.784300    
 H   -2.110800      -1.740200     -0.9763000    
 H   -2.257600     -0.7418000      -2.396000    
 H   -2.035700      -1.212600       1.218200    
 H   -1.818500      0.4649000       1.731400    
 H   -1.222500       2.488900     -0.6028000    
 H   -3.800900     -0.4537000      0.1848000    
 H   -4.276300     -0.1343000      -1.490000    
 H   -3.742800       2.198100     -0.4300000    
 H  -0.1119000      -1.925200       2.568300    
 H   0.1584000     -0.2558000       3.085500    
 H   -1.333400      -1.082600       3.506200    
 H    2.050000      -2.283000     -0.9782000    
 H    3.324000       2.152000     -0.8698000    
 H    3.495300       1.847800      0.8748000    
 H    2.195500       2.914900      0.2817000    


%chk=000048406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048406

0 1
O 0.492839 1.844633 1.448240
O -0.190284 -2.685927 0.085670
O 3.541632 -0.336207 -1.331349
N 1.973154 0.822402 -0.021397
N 1.607410 -1.444644 -0.665108
C -0.281277 -0.241851 0.413133
C -1.122019 0.286527 -0.877021
C -2.232742 -0.704902 -1.374593
C -1.203441 -0.458889 1.639476
C -1.891966 1.565094 -0.577263
C -3.607615 -0.031702 -1.064113
C 0.745875 0.867593 0.695186
C 0.359860 -1.558422 -0.025871
C -3.234340 1.390675 -0.686001
C -0.467846 -0.964192 2.899040
C 2.440835 -0.311430 -0.722803
C 2.888147 1.986939 0.055525
H -0.368471 0.454529 -1.673449
H -2.139995 -1.703785 -0.916899
H -2.120765 -0.839893 -2.465018
H -1.981078 -1.188831 1.353245
H -1.699463 0.501739 1.858197
H -1.397381 2.496265 -0.286729
H -4.143614 -0.531006 -0.231870
H -4.287720 -0.064817 -1.936735
H -3.980152 2.172803 -0.506872
H 0.011543 -1.943921 2.723607
H 0.298883 -0.242364 3.233072
H -1.185750 -1.090593 3.729250
H 2.001375 -2.295957 -1.079027
H 3.412921 2.089132 -0.905533
H 3.634586 1.844797 0.855781
H 2.287661 2.879405 0.281630


