%chk=000063137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063137

0 1
 O  -0.5550000      -2.016300      1.4000000E-03
 O    5.349500     -0.3918000     -0.3512000    
 N  -0.1705000      0.3077000      1.9800000E-02
 N   -2.039000       1.780600      2.7200000E-02
 C   -2.425400     -0.6327000      4.9400002E-02
 C    1.252000      0.1269000     -7.6099999E-02
 C  -0.7580000       1.574800      4.6900000E-02
 C  -0.9647000     -0.8585000      4.1400000E-02
 C   -2.899900      0.6786000      1.7000001E-02
 C    1.854100      7.1000002E-02  -1.326900    
 C    2.008300      1.1100000E-02   1.083500    
 C   -3.314300      -1.714100      6.3199997E-02
 C   0.1068000       2.813400      0.1639000    
 C   -4.282100      0.8987000     -1.1000000E-03
 C    3.234900     -0.1036000      -1.419400    
 C    3.389100     -0.1636000      0.9908000    
 C   -4.688700      -1.481000      4.5499999E-02
 C    4.002400     -0.2209000     -0.2607000    
 C   -5.173000     -0.1755000      1.2300000E-02
 C    6.073500     -0.5047000      0.8732000    
 H    1.264000      0.1619000      -2.234700    
 H    1.537800      5.5199999E-02   2.062000    
 H   -2.957500      -2.740000      8.5000001E-02
 H   0.7843000       2.875700     -0.6920000    
 H   0.6979000       2.765000       1.082600    
 H  -0.5098000       3.716600      0.1888000    
 H   -4.674400       1.912800     -2.2100000E-02
 H    3.707000     -0.1475000      -2.397100    
 H    3.924500     -0.2474000       1.930300    
 H   -5.381700      -2.317300      5.6100000E-02
 H   -6.243500      7.0000002E-03 -1.4000000E-03
 H    5.771300      -1.392500       1.439100    
 H    6.001900      0.4116000       1.468900    
 H    7.129200     -0.6354000      0.6136000    


%chk=000063137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063137

0 1
O -0.455593 -2.015718 0.031468
O 5.408848 -0.314367 -0.316851
N -0.220541 0.327362 -0.015355
N -2.117743 1.817117 0.015626
C -2.465458 -0.643701 0.041785
C 1.226947 0.168788 -0.060713
C -0.807972 1.615650 -0.009125
C -1.010203 -0.880281 0.021231
C -2.969025 0.696049 0.035685
C 1.901498 0.204218 -1.303892
C 1.950076 -0.046948 1.128637
C -3.361413 -1.744545 0.065786
C 0.113113 2.812055 -0.025125
C -4.375853 0.908420 0.053555
C 3.296416 0.043848 -1.352775
C 3.351954 -0.212593 1.092797
C -4.747679 -1.520249 0.082479
C 4.026290 -0.163965 -0.153772
C -5.252835 -0.188435 0.076193
C 6.211324 -0.578086 0.881325
H 1.330625 0.341190 -2.228392
H 1.416392 -0.101184 2.083255
H -2.939359 -2.754878 0.069829
H 0.711657 2.854881 -0.952613
H 0.828464 2.786130 0.816044
H -0.507864 3.716198 0.045843
H -4.740020 1.940151 0.048849
H 3.840274 0.063497 -2.301585
H 3.895371 -0.384971 2.025947
H -5.441780 -2.367130 0.100128
H -6.335263 -0.018882 0.089279
H 5.897914 -1.518229 1.374790
H 6.148167 0.260857 1.601422
H 7.244272 -0.676450 0.517448


