%chk=000116641.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116641

0 1
 O   -2.117700      -1.548100     -0.2308000    
 O    3.531000       1.689000      0.2794000    
 N   -1.147900      0.9655000      0.5794000    
 N    3.326500     -0.5209000     -0.5163000    
 N   -4.055100      0.9731000      -1.705000    
 C  -0.2808000     -4.1299999E-02  0.1013000    
 C   -1.222000       2.247100     -9.1600001E-02
 C   -1.962400      0.7329000       1.754400    
 C  -0.7830000      -1.280500     -0.2957000    
 C    1.089000      0.2121000      2.7799999E-02
 C    1.956400     -0.7738000     -0.4426000    
 C   -1.673400       2.078000      -1.538400    
 C   8.4399998E-02  -2.266400     -0.7662000    
 C    1.454200      -2.013100     -0.8395000    
 C   -1.064900      0.4458000       2.914900    
 C   -3.004700       1.460400      -1.630200    
 C    4.009900      0.6513000     -0.1662000    
 C   -2.540400      -2.841400     -0.6576000    
 C   -1.094200     -0.6920000       3.618100    
 C    5.495000      0.5222000     -0.3952000    
 H   -1.917600       2.921500      0.4240000    
 H  -0.2480000       2.750100     -6.6799998E-02
 H   -2.558900       1.618400       2.005100    
 H   -2.688500     -7.0100002E-02   1.592400    
 H    1.425400       1.183300      0.3621000    
 H   -1.703700       3.065000      -2.015100    
 H  -0.9518000       1.482900      -2.109500    
 H  -0.2316000      -3.251300      -1.091600    
 H    2.119600      -2.790000      -1.207900    
 H  -0.3612000       1.220100       3.211200    
 H    3.891700      -1.290100     -0.8699000    
 H   -2.125000      -3.632000     -2.3499999E-02
 H   -3.628200      -2.879000     -0.5386000    
 H   -2.332400      -3.004300      -1.720600    
 H  -0.4220000     -0.8370000       4.456600    
 H   -1.781300      -1.493700       3.370900    
 H    5.690000      0.2942000      -1.446800    
 H    5.992700       1.461300     -0.1381000    
 H    5.897400     -0.2773000      0.2332000    


%chk=000116641-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116641

0 1
O -2.093343 -1.985976 0.016539
O 3.244311 1.872180 -0.484429
N -1.326868 0.706426 0.506092
N 3.313127 -0.461631 -0.762728
N -3.190681 2.484261 -2.411493
C -0.371930 -0.271198 0.127428
C -0.979142 2.131392 0.358110
C -2.354209 0.407580 1.548782
C -0.731189 -1.644907 -0.117509
C 0.982626 0.098920 -0.092365
C 1.952979 -0.834991 -0.526657
C -0.855249 2.572748 -1.130744
C 0.252030 -2.576333 -0.513137
C 1.590647 -2.186330 -0.725183
C -1.787288 0.442845 2.960444
C -2.140893 2.517005 -1.844571
C 3.887509 0.806613 -0.741121
C -2.501313 -3.336933 -0.371229
C -1.827725 -0.604257 3.821133
C 5.382863 0.836833 -1.053104
H -1.780875 2.720301 0.835350
H -0.033267 2.406566 0.871262
H -3.156600 1.162414 1.437955
H -2.793312 -0.577821 1.339775
H 1.320017 1.120916 0.077586
H -0.465187 3.607903 -1.171748
H -0.120856 1.931756 -1.650608
H -0.024477 -3.619529 -0.689936
H 2.329689 -2.925491 -1.056560
H -1.311390 1.384544 3.277037
H 3.938602 -1.236180 -0.993764
H -2.045138 -4.104716 0.284177
H -3.594704 -3.349765 -0.250187
H -2.240764 -3.544957 -1.426931
H -1.406168 -0.541094 4.830955
H -2.286373 -1.559265 3.534450
H 5.817973 -0.154784 -1.268903
H 5.554219 1.496690 -1.920997
H 5.918850 1.280165 -0.196071


