%chk=000044940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044940

0 1
 O   -1.134200     -0.3348000     -0.7210000    
 O   -1.415500      0.6137000       1.372000    
 O    4.631200      0.5535000       1.158500    
 N   -3.276600      2.7700000E-02  0.1060000    
 N    4.323600      5.6100000E-02  6.7000002E-02
 C   -4.233400      0.4765000       1.107500    
 C   -3.844200     -0.5275000      -1.118400    
 C   0.2467000     -0.2356000     -0.5212000    
 C    2.268600       1.009500     -0.7277000    
 C    2.282000      -1.190400      0.2707000    
 C   -1.902700      0.1441000      0.3441000    
 C    2.963800     -4.1099999E-02 -0.1291000    
 C   0.8915000      0.9109000     -0.9263000    
 C   0.9049000      -1.289000      7.1900003E-02
 C   -4.602000       1.935700      0.8996000    
 C   -4.049100      -2.028000     -0.9973000    
 C    2.958800       2.260500      -1.172700    
 C    2.986600      -2.341800      0.9165000    
 H   -5.125300     -0.1582000       1.073500    
 H   -3.788900      0.3617000       2.102500    
 H   -4.793400     -2.6699999E-02  -1.338200    
 H   -3.171800     -0.3224000      -1.957900    
 H   0.3330000       1.718300      -1.391100    
 H   0.3566000      -2.176000      0.3761000    
 H   -3.716900       2.578100      0.9558000    
 H   -5.065200       2.092400     -7.9800002E-02
 H   -5.310000       2.261700       1.667600    
 H   -3.102400      -2.540500     -0.7969000    
 H   -4.737600      -2.269900     -0.1812000    
 H   -4.465800      -2.430700      -1.925600    
 H    3.749600       2.030100      -1.894500    
 H    2.268100       2.954000      -1.665300    
 H    3.390200       2.787300     -0.3151000    
 H    2.305200      -3.176100       1.116900    
 H    3.778600      -2.725400      0.2644000    
 H    3.418900      -2.038700       1.875900    


%chk=000044940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044940

0 1
O -1.170930 -0.345082 -0.070923
O -1.798833 1.833777 0.680546
O 5.198965 0.719189 -0.049846
N -3.387539 0.214900 0.089044
N 4.469043 -0.322499 -0.287744
C -4.509855 1.129299 0.421589
C -3.710346 -1.144901 -0.409838
C 0.230118 -0.180472 -0.071258
C 2.334896 1.045384 0.162991
C 2.324516 -1.381025 -0.471467
C -2.112467 0.687412 0.271898
C 3.040564 -0.162866 -0.183840
C 0.923883 1.019962 0.216199
C 0.922901 -1.369051 -0.410227
C -4.971411 1.964168 -0.790560
C -3.811737 -2.187768 0.723010
C 3.035270 2.350667 0.476542
C 3.055899 -2.658795 -0.836781
H -5.339829 0.510216 0.809380
H -4.175303 1.798907 1.231567
H -4.672541 -1.071268 -0.950393
H -2.942279 -1.450263 -1.137311
H 0.367235 1.918526 0.483550
H 0.344072 -2.272590 -0.622845
H -4.151352 2.612157 -1.143733
H -5.295313 1.319158 -1.627679
H -5.822993 2.608839 -0.506365
H -2.840856 -2.294952 1.236212
H -4.571289 -1.896793 1.471038
H -4.097526 -3.172718 0.310516
H 3.658951 2.688222 -0.370478
H 2.295697 3.132750 0.719571
H 3.739664 2.239322 1.320057
H 2.338797 -3.479383 -1.010069
H 3.667747 -2.523263 -1.745134
H 3.757079 -2.960165 -0.040019


