%chk=000100867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100867

0 1
 O    2.070900     -0.3586000     -5.3500000E-02
 O    1.599500       1.852200      0.2843000    
 N  -7.5400002E-02  0.3984000     -0.4108000    
 N   -3.959300     -0.8052000      0.7361000    
 C   -2.844100     -0.3748000     -0.1037000    
 C   -2.338500      0.9989000      0.3566000    
 C   -1.712400      -1.409500     -4.6000000E-02
 C   -1.113900       1.427800     -0.4492000    
 C  -0.4972000     -0.9383000     -0.8436000    
 C    1.230500      0.7230000     -3.3300001E-02
 C    3.430600     -0.1090000      0.3208000    
 C    4.209400      -1.404800      0.2424000    
 H   -3.200900     -0.2946000      -1.138300    
 H   -2.070200      0.9598000       1.420900    
 H   -3.127800       1.752700      0.2502000    
 H   -2.055600      -2.373800     -0.4399000    
 H   -1.411800      -1.575100      0.9973000    
 H   -1.381600       1.582900      -1.501000    
 H  -0.7313000       2.378300     -6.4099997E-02
 H   0.3122000      -1.666200     -0.7423000    
 H  -0.7432000     -0.8703000      -1.910000    
 H   -4.319500      -1.696700      0.3984000    
 H   -4.725000     -0.1370000      0.6592000    
 H    3.867700      0.6273000     -0.3627000    
 H    3.461500      0.2799000       1.344600    
 H    5.255100      -1.250400      0.5226000    
 H    3.772400      -2.157600      0.9068000    
 H    4.171800      -1.816000     -0.7718000    


%chk=000100867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100867

0 1
O 2.076079 -0.388673 -0.082409
O 1.598110 1.879326 0.314536
N -0.070572 0.393241 -0.415499
N -4.017976 -0.802204 0.685809
C -2.875065 -0.372533 -0.142177
C -2.357718 0.998687 0.348852
C -1.736776 -1.414128 -0.045200
C -1.112433 1.442089 -0.448626
C -0.491722 -0.958951 -0.839118
C 1.212436 0.728918 -0.036893
C 3.481288 -0.100121 0.319011
C 4.238537 -1.421696 0.229307
H -3.137062 -0.262570 -1.227914
H -2.112958 0.916491 1.424106
H -3.148105 1.768575 0.241033
H -2.077369 -2.393371 -0.438195
H -1.480559 -1.550469 1.022096
H -1.392363 1.639270 -1.505816
H -0.674397 2.363792 -0.034451
H 0.348694 -1.650998 -0.690359
H -0.730641 -0.937142 -1.924538
H -4.368752 -1.739999 0.463938
H -4.775973 -0.113919 0.744835
H 3.891714 0.668251 -0.360824
H 3.478915 0.315573 1.342722
H 5.294912 -1.267829 0.516113
H 3.800766 -2.173625 0.908256
H 4.212890 -1.822684 -0.798596


