%chk=000148648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148648

0 1
 O    2.502500      -2.491400      0.1625000    
 O    3.809700     -0.6065000     -9.9999997E-05
 O   0.7803000       1.286100       2.403000    
 O    2.510500      0.9870000      -1.851500    
 N   -2.479800       1.441100      -1.256700    
 N    1.640400       1.066000      0.2583000    
 N    2.253900       1.755700     -0.9185000    
 C   0.4475000     -0.7197000     -0.9493000    
 C  -0.8661000     -4.5100000E-02 -0.9184000    
 C    1.414500     -0.3567000      0.2041000    
 C   -2.045200     -0.5142000     -0.2744000    
 C   -3.042500      0.4366000     -0.5020000    
 C   -1.165000       1.159000      -1.513500    
 C   -2.360600      -1.660000      0.4825000    
 C    2.714100      -1.146300      0.1155000    
 C   -4.344600      0.2982000     -8.3999997E-03
 C   -3.659000      -1.811800      0.9827000    
 C   -4.634200     -0.8464000      0.7398000    
 C    1.288900       1.794900       1.401200    
 C    1.561100       3.281900       1.376600    
 C    3.673700      -3.308400      6.6500001E-02
 H   0.9025000     -0.5880000      -1.936600    
 H   0.2697000      -1.804000     -0.9083000    
 H   0.9503000     -0.6731000       1.147100    
 H  -0.5664000       1.840800      -2.101100    
 H   -2.967800       2.266700      -1.575600    
 H   -1.612400      -2.421500      0.6830000    
 H   -5.104400       1.049300     -0.1969000    
 H   -3.907800      -2.693200       1.567700    
 H   -5.636200     -0.9844000       1.138000    
 H    1.242400       3.727100       2.323900    
 H    2.631200       3.467100       1.250400    
 H   0.9984000       3.754000      0.5667000    
 H    3.362800      -4.355200      0.1167000    
 H    4.349000      -3.102000      0.9023000    
 H    4.177300      -3.137100     -0.8897000    


%chk=000148648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148648

0 1
O 2.689849 -2.464089 -0.324699
O 3.792932 -0.657457 0.647597
O 0.558896 0.885003 2.464850
O 2.558095 1.150811 -1.637248
N -2.510862 1.234832 -1.726264
N 1.506202 0.940545 0.342497
N 2.111152 1.771785 -0.616762
C 0.471920 -0.927218 -1.052147
C -0.850062 -0.207146 -1.097583
C 1.357626 -0.524865 0.174237
C -2.013634 -0.443335 -0.256655
C -3.040989 0.475455 -0.674942
C -1.195020 0.820692 -1.976610
C -2.292114 -1.346479 0.804122
C 2.752981 -1.172298 0.186385
C -4.316734 0.513457 -0.070167
C -3.562001 -1.314931 1.410938
C -4.563187 -0.394487 0.979411
C 1.063842 1.586131 1.554457
C 1.254382 3.084246 1.635799
C 3.970104 -3.217552 -0.311707
H 1.040349 -0.750600 -1.978632
H 0.321454 -2.018386 -0.970253
H 0.847239 -0.843666 1.105008
H -0.599082 1.278773 -2.764418
H -3.007793 1.958943 -2.239687
H -1.534451 -2.059634 1.148937
H -5.089626 1.217663 -0.398245
H -3.789601 -2.003856 2.231705
H -5.540904 -0.393505 1.473983
H 0.842190 3.428253 2.595523
H 2.323513 3.348137 1.569432
H 0.746749 3.594855 0.800541
H 3.720345 -4.198395 -0.738737
H 4.343673 -3.312410 0.721426
H 4.721268 -2.692771 -0.924596


