%chk=000108247.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108247

0 1
 O   0.6966000       2.169300     -0.1292000    
 N  -0.6126000      0.3001000      0.3243000    
 C   -3.245600     -0.8656000     -2.7300000E-02
 C   -2.998700      0.6265000     -0.2316000    
 C   -1.977100      -1.665000     -0.3122000    
 C   -1.809600       1.101400      0.5968000    
 C  -0.7900000      -1.149600      0.5012000    
 C   0.5698000      0.9479000     -2.6300000E-02
 C    1.760100      0.1146000     -0.2896000    
 C    1.926400     -0.3233000      -1.709500    
 C    2.617400     -0.2162000      0.6850000    
 C    3.863300      -1.040100      0.6184000    
 H   -3.570900      -1.047400       1.004200    
 H   -4.054100      -1.203000     -0.6852000    
 H   -2.804200      0.8187000      -1.294000    
 H   -3.894900       1.193500      4.2900000E-02
 H   -2.146700      -2.724500     -9.0700001E-02
 H   -1.740400      -1.591600      -1.381200    
 H   -1.624300       2.161600      0.3972000    
 H   -2.026800       1.005200       1.667400    
 H  -0.9586000      -1.323200       1.570600    
 H   0.1096000      -1.701700      0.2201000    
 H   0.9528000     -0.4448000      -2.197700    
 H    2.435000      -1.287900      -1.794700    
 H    2.493400      0.4246000      -2.272800    
 H    2.395900      0.1528000       1.686600    
 H    4.698800     -0.4763000       1.045300    
 H    4.140700      -1.318100     -0.4010000    
 H    3.735000      -1.956000       1.203100    


%chk=000108247-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108247

0 1
O 0.434401 1.987683 -0.902241
N -0.595702 0.279734 0.306362
C -3.302292 -0.853777 0.191766
C -3.031463 0.627838 -0.160681
C -2.049296 -1.711282 -0.100203
C -1.772138 1.143499 0.571668
C -0.800036 -1.151406 0.626565
C 0.486312 0.816219 -0.394753
C 1.765706 0.011185 -0.521787
C 2.375412 0.039056 -1.909123
C 2.346802 -0.519794 0.595157
C 3.683393 -1.216027 0.699271
H -3.558046 -0.933681 1.269244
H -4.172523 -1.236282 -0.374057
H -2.881050 0.734546 -1.252461
H -3.896846 1.259805 0.116548
H -2.208316 -2.759630 0.219020
H -1.854600 -1.723500 -1.190999
H -1.509634 2.162530 0.245785
H -1.956326 1.151581 1.666901
H -0.936154 -1.261277 1.723971
H 0.098101 -1.717292 0.339015
H 1.774892 -0.562864 -2.619336
H 3.409197 -0.340806 -1.928316
H 2.368195 1.077740 -2.284519
H 1.807153 -0.410004 1.548657
H 4.362399 -0.657654 1.373550
H 4.187975 -1.328128 -0.274046
H 3.564784 -2.226112 1.139142


