%chk=000048753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048753

0 1
 O   -1.092900     -0.6397000      6.1500002E-02
 O    1.849800     -0.5794000       2.256900    
 O    1.642400     -4.1800000E-02  -2.403400    
 O  -0.1704000       3.101400      0.4057000    
 N   0.7547000       1.209500       1.328000    
 N   0.6504000       1.477800     -0.9999000    
 C    1.292600     -0.7122000     -9.9399999E-02
 C    2.489000      -1.661000     -0.2621000    
 C  -1.2100000E-02  -1.528100     -0.1352000    
 C    1.359600     -3.7000000E-02   1.266800    
 C    1.246200      0.2564000      -1.276900    
 C   -2.345900      -1.316800      4.2500000E-02
 C   -3.484300     -0.3125000      0.2421000    
 C    3.795600     -0.9124000     -0.1251000    
 C   0.3586000       1.998800      0.2549000    
 C   -3.506900      0.7337000     -0.8743000    
 C   -4.826600      -1.036800      0.3179000    
 H    2.461200      -2.162500      -1.237600    
 H    2.459000      -2.456000      0.4941000    
 H  -1.4800000E-02  -2.285200      0.6592000    
 H  -0.1240000      -2.035000      -1.102100    
 H   -2.362100      -2.060200      0.8485000    
 H   -2.464700      -1.839700     -0.9145000    
 H   -3.316900      0.2203000       1.186900    
 H    3.890100     -0.1026000     -0.8548000    
 H    3.946700     -0.4908000      0.8721000    
 H    4.629100      -1.601300     -0.3032000    
 H   0.6618000       1.624500       2.251000    
 H   0.4805000       2.090400      -1.792700    
 H   -4.327400       1.443300     -0.7237000    
 H   -3.641400      0.2644000      -1.854800    
 H   -2.575400       1.307900     -0.8987000    
 H   -5.642300     -0.3273000      0.4921000    
 H   -4.832300      -1.760000       1.140200    
 H   -5.040400      -1.577300     -0.6106000    


%chk=000048753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048753

0 1
O -1.189062 -0.720666 0.053176
O 1.359124 -0.735278 2.384609
O 1.156997 -0.107406 -2.439714
O 0.760569 3.468197 0.499970
N 1.088893 1.338253 1.402426
N 0.981680 1.642495 -0.941083
C 1.218825 -0.702455 -0.062459
C 2.496744 -1.589162 -0.230895
C -0.041479 -1.608398 -0.126590
C 1.228136 -0.056225 1.333827
C 1.118807 0.279054 -1.243139
C -2.477880 -1.431525 0.016955
C -3.607474 -0.404199 0.196649
C 3.818759 -0.795571 -0.194073
C 0.923613 2.234316 0.332647
C -3.622470 0.621888 -0.958827
C -4.962917 -1.139767 0.320371
H 2.404679 -2.120452 -1.195664
H 2.486027 -2.337628 0.582152
H 0.010342 -2.362959 0.685983
H -0.078591 -2.113288 -1.114462
H -2.502339 -2.187524 0.832802
H -2.583525 -1.960303 -0.957650
H -3.407627 0.135376 1.144431
H 3.871755 -0.053573 -1.011646
H 3.951215 -0.268647 0.768630
H 4.674859 -1.482258 -0.315270
H 1.057944 1.756851 2.337765
H 0.878660 2.286384 -1.732266
H -4.391280 1.397196 -0.786247
H -3.852039 0.124263 -1.921294
H -2.642030 1.119121 -1.055103
H -5.783924 -0.415964 0.470869
H -4.970863 -1.843557 1.173927
H -5.187630 -1.713790 -0.599410


