%chk=000110889.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110889

0 1
 O    4.701200      0.1823000      0.8476000    
 O  -0.2357000      -1.963300       1.055800    
 O    2.503900      -1.491700      0.6352000    
 N   -1.579500     -0.4102000     -2.9100001E-02
 N    6.725100      0.9282000      -1.007500    
 N   0.7175000     -0.2526000     -0.2107000    
 C   -2.845900     -0.9461000      0.3957000    
 C   -3.426600      -1.941900     -0.6271000    
 C   -4.290100      -1.123300      -1.602100    
 C   -3.917500      0.1028000      0.4116000    
 C   -4.738200     -1.8000000E-03 -0.7189000    
 C    4.440500      0.1412000     -0.5607000    
 C    5.307500       1.179000      -1.278600    
 C   -4.127200       1.096200       1.354600    
 C   -5.776600      0.8886000     -0.9336000    
 C    2.959500      0.4263000     -0.7679000    
 C    6.970900      0.9282000      0.4354000    
 C    6.075500     -9.5100001E-02   1.122500    
 C  -0.3545000     -0.9702000      0.3399000    
 C   -5.180000       1.990900       1.152000    
 C   -5.998000       1.888500      1.5799999E-02
 C    2.068400     -0.5559000     -2.9899999E-02
 H   -2.739500      -1.428800       1.373400    
 H   -4.078500      -2.652800     -9.9200003E-02
 H   -2.663500      -2.529500      -1.148500    
 H   -3.691000     -0.7344000      -2.431700    
 H   -5.126200      -1.714300      -1.986200    
 H    4.668600     -0.8690000     -0.9277000    
 H   -1.572200      0.3880000     -0.6575000    
 H    5.051800       2.192900     -0.9459000    
 H    5.134900       1.130900      -2.359100    
 H   -3.490900       1.183200       2.228800    
 H    2.715200       1.427900     -0.3911000    
 H    2.709900      0.3905000      -1.834700    
 H   -6.404600      0.8169000      -1.815000    
 H    6.776300       1.929500      0.8380000    
 H    8.022000      0.6898000      0.6267000    
 H    6.311900      -1.118300      0.8060000    
 H    6.214200     -4.4000000E-02   2.207100    
 H    7.288600       1.654500      -1.448100    
 H   -5.365900       2.778100       1.877700    
 H   -6.808700       2.597700     -0.1273000    
 H   0.4829000      0.5516000     -0.7866000    


%chk=000110889-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110889

0 1
O 2.832983 0.704789 -0.585627
O -0.371120 -3.198014 -0.340111
O 2.381259 -3.533886 -1.426218
N -0.956401 -0.939871 -0.441229
N 5.372477 1.456087 0.451841
N 1.268161 -1.529781 -0.826842
C -2.371078 -1.181273 -0.083810
C -3.320246 -1.365969 -1.317076
C -3.945219 0.035905 -1.595301
C -2.958082 0.041892 0.616252
C -3.846272 0.737002 -0.244588
C 3.892479 -0.331128 -0.359963
C 5.277754 0.328515 -0.498128
C -2.694309 0.512759 1.918993
C -4.486534 1.913515 0.198743
C 3.654412 -1.440645 -1.396186
C 4.344750 2.489283 0.212288
C 2.963509 1.834728 0.363349
C -0.048968 -1.996758 -0.531469
C -3.340839 1.690685 2.365618
C -4.231126 2.385595 1.509651
C 2.381669 -2.297313 -1.207347
H -2.366312 -2.089801 0.542721
H -4.119722 -2.076768 -1.038997
H -2.780044 -1.790110 -2.179223
H -3.372263 0.591396 -2.364960
H -4.984596 -0.034378 -1.963321
H 3.778675 -0.711626 0.677753
H -0.683141 0.008506 -0.706801
H 5.411096 0.637906 -1.564832
H 6.056334 -0.417049 -0.254543
H -2.007211 -0.029466 2.578931
H 3.619325 -0.980067 -2.403694
H 4.503579 -2.145102 -1.385826
H -5.178675 2.455133 -0.456725
H 4.411359 2.946641 -0.805262
H 4.451265 3.295176 0.961472
H 2.834690 1.462081 1.400031
H 2.149548 2.531565 0.103827
H 6.322228 1.832368 0.544169
H -3.159471 2.064106 3.379835
H -4.730108 3.293066 1.868913
H 1.479685 -0.519197 -0.717208


