%chk=000106462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106462

0 1
 O    2.051700      -1.574400     -0.2627000    
 O   -2.717100       1.197800     -0.2457000    
 O   -2.707600      -2.879700     -0.3621000    
 O   -3.841000      -1.000000     -0.3227000    
 N    2.081400       1.237800     -0.1819000    
 N   -2.755400      -1.627300     -0.3269000    
 C   0.8702000      0.5131000     -0.2185000    
 C    3.051000       1.098100      -1.249300    
 C    2.374500       2.118700      0.9300000    
 C   0.8781000     -0.8812000     -0.2582000    
 C  -0.3416000       1.203900     -0.2144000    
 C   -1.545400      0.5004000     -0.2502000    
 C  -0.3257000      -1.584600     -0.2940000    
 C   -1.537600     -0.8939000     -0.2900000    
 C    2.767100       2.104600      -2.347700    
 C    3.084900       1.353000       2.029700    
 C    2.271800      -2.481700      0.8150000    
 C   -2.962600       2.042900      0.8759000    
 C    3.759600      -2.589500       1.072800    
 C   -4.456300       2.142000       1.101100    
 H    3.059000      9.5200002E-02  -1.687300    
 H    4.063800       1.266600     -0.8638000    
 H    3.014100       2.946000      0.5991000    
 H    1.467000       2.581300       1.334700    
 H  -0.3500000       2.291400     -0.2044000    
 H  -0.2947000      -2.670900     -0.3351000    
 H    3.514500       2.020300      -3.143000    
 H    2.793700       3.130200      -1.964900    
 H    1.780000       1.939200      -2.792200    
 H    3.317700       2.019300       2.866300    
 H    4.024500      0.9211000       1.670300    
 H    2.463900      0.5358000       2.410900    
 H    1.772100      -2.136000       1.728500    
 H    1.870300      -3.463600      0.5421000    
 H   -2.552300       3.037100      0.6684000    
 H   -2.486800       1.645500       1.781100    
 H    4.179600      -1.611900       1.329200    
 H    4.282300      -2.933400      0.1742000    
 H    3.965400      -3.287200       1.889400    
 H   -4.681400       2.810200       1.937000    
 H   -4.958400       2.517400      0.2034000    
 H   -4.881800       1.156400       1.315800    


%chk=000106462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106462

0 1
O 2.196102 -1.510133 -0.361249
O -2.833894 0.795602 0.844010
O -2.352568 -3.366909 0.189899
O -3.810618 -1.661909 0.608619
N 1.991157 1.323484 0.161986
N -2.612609 -2.099274 0.388365
C 0.885992 0.473694 0.226882
C 3.413092 0.895830 0.263892
C 1.811054 2.794154 0.152195
C 0.945604 -0.956272 -0.010833
C -0.408544 1.010853 0.505197
C -1.590601 0.237783 0.564835
C -0.214878 -1.727892 0.065827
C -1.488855 -1.171230 0.349858
C 4.149084 0.883786 -1.092332
C 1.754170 3.434887 1.560818
C 2.237490 -2.952696 -0.679528
C -2.923404 2.256512 1.064309
C 3.678301 -3.286104 -1.057214
C -4.397381 2.556979 1.320643
H 3.460068 -0.101526 0.719729
H 3.915211 1.602464 0.955618
H 2.666443 3.222810 -0.402598
H 0.908048 3.049882 -0.430962
H -0.488439 2.076089 0.715518
H -0.202833 -2.804856 -0.112318
H 5.214859 0.628261 -0.942979
H 4.105147 1.869238 -1.592129
H 3.696569 0.129973 -1.756404
H 1.639847 4.531385 1.477680
H 2.684122 3.234030 2.122579
H 0.912806 3.040942 2.156583
H 1.908266 -3.533743 0.205774
H 1.540281 -3.161510 -1.516279
H -2.550792 2.789300 0.164950
H -2.296020 2.538687 1.935480
H 4.364570 -3.078408 -0.218117
H 4.002972 -2.694107 -1.930164
H 3.758290 -4.357845 -1.314055
H -4.538741 3.639026 1.496994
H -5.009983 2.255288 0.454847
H -4.756885 2.003472 2.203976


