%chk=000039598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039598

0 1
 O   -4.574800      -1.148600      9.1499999E-02
 O  -0.1200000       1.147100      -1.981300    
 O    3.717700       1.185400      0.5034000    
 O  -0.2454000       2.192100       2.544400    
 N  -0.2975000       1.520000      0.3092000    
 N   -2.478300      0.7475000     -0.2422000    
 N    1.712900       1.571600       1.544200    
 C    1.697400      0.3571000     -0.5816000    
 C   0.3539000       1.057800     -0.8469000    
 C    2.517200      0.3933000      -1.891900    
 C   -1.698200       1.905900      0.1882000    
 C    1.502600      -1.125800     -0.1904000    
 C    2.491700       1.082000      0.5092000    
 C   -2.380900     -0.3413000      0.7399000    
 C   -3.886200       1.114200     -0.4493000    
 C   0.3352000       1.769800       1.541100    
 C   -3.211900      -1.533600      0.2749000    
 C   -4.682400     -0.1124000     -0.8854000    
 C    2.782100       1.817600      -2.329400    
 C    2.027400      -1.593400       1.007700    
 C   0.8047000      -1.973400      -1.041200    
 C    1.851600      -2.931300       1.360800    
 C   0.6289000      -3.311400     -0.6879000    
 C    1.152300      -3.790200      0.5132000    
 H    2.004300     -0.1246000      -2.711900    
 H    3.478300     -0.1223000      -1.761400    
 H   -1.747400       2.688600     -0.5792000    
 H   -2.086000       2.331100       1.120800    
 H   -2.749600     -2.4999999E-03   1.717300    
 H   -1.352000     -0.6875000      0.8723000    
 H   -3.968100       1.885300      -1.223900    
 H   -4.315200       1.516200      0.4779000    
 H   -2.822200      -1.959200     -0.6580000    
 H   -3.188800      -2.322500       1.033500    
 H   -5.741900      0.1456000     -0.9813000    
 H   -4.343500     -0.4898000      -1.858000    
 H    2.210100       1.905700       2.365200    
 H    1.875700       2.385600      -2.551800    
 H    3.368100       2.391900      -1.607500    
 H    3.368500       1.801000      -3.255600    
 H    2.587400     -0.9820000       1.705200    
 H   0.3804000      -1.621600      -1.976700    
 H    2.260200      -3.305600       2.295000    
 H   8.1799999E-02  -3.979700      -1.346500    
 H    1.014900      -4.831800      0.7884000    


%chk=000039598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039598

0 1
O -4.753768 -1.128629 0.014820
O -0.175119 1.114667 -1.922002
O 3.761571 0.861612 0.777170
O -0.304813 2.065627 2.644884
N -0.272791 1.553906 0.349855
N -2.587154 0.766188 0.095618
N 1.703167 1.412568 1.672089
C 1.762720 0.389084 -0.601475
C 0.391230 1.064544 -0.798765
C 2.630031 0.579437 -1.885133
C -1.726009 1.933429 0.196119
C 1.530859 -1.137131 -0.333111
C 2.513508 0.919938 0.635939
C -3.260578 0.344102 1.347051
C -3.476335 0.697514 -1.088337
C 0.323478 1.685019 1.621997
C -3.836232 -1.070364 1.165448
C -4.045965 -0.726201 -1.212824
C 2.961791 2.049132 -2.215486
C 2.656207 -1.958044 -0.059615
C 0.241486 -1.724739 -0.378229
C 2.495565 -3.343944 0.149560
C 0.086708 -3.114102 -0.166730
C 1.209476 -3.929702 0.094474
H 2.075593 0.118222 -2.720965
H 3.565149 0.011039 -1.743521
H -1.789457 2.531498 -0.727212
H -1.955760 2.564703 1.073386
H -4.088397 1.042875 1.617762
H -2.528583 0.347612 2.175003
H -2.885095 0.940882 -1.989415
H -4.325494 1.418009 -1.008845
H -3.004511 -1.793965 1.017623
H -4.438258 -1.370942 2.038473
H -4.795823 -0.786571 -2.018425
H -3.218164 -1.439921 -1.418279
H 2.159906 1.626022 2.564862
H 2.047305 2.640002 -2.401240
H 3.540948 2.525882 -1.404423
H 3.576221 2.096885 -3.132274
H 3.654399 -1.511241 0.006710
H -0.647943 -1.115441 -0.574823
H 3.373864 -3.964405 0.359007
H -0.915099 -3.557044 -0.209042
H 1.085163 -5.006110 0.256321


