%chk=000100272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100272

0 1
 O    1.867800      -2.317900      0.3257000    
 O    5.862000     -0.1881000     -0.6388000    
 O   -5.872800      0.3117000     -0.4464000    
 O   0.1705000      5.1899999E-02   1.947000    
 N    3.994800       1.084500     -0.1037000    
 N    3.889400      -1.288300     -0.1632000    
 N  -0.3306000      0.1321000     -0.3526000    
 N    2.063600       2.423000      0.4449000    
 C    1.916900      3.8600001E-02  0.3951000    
 C    2.634700       1.178900      0.2515000    
 C    2.544100      -1.298700      0.1863000    
 C    4.668100     -0.1295000     -0.3239000    
 C   0.4828000      7.5099997E-02  0.7646000    
 C    4.768200       2.322500     -0.2577000    
 C    4.542000      -2.577100     -0.3792000    
 C   -1.745900      0.1774000     -0.3766000    
 C   -2.443200      0.1659000      0.8192000    
 C   -2.400300      0.2323000      -1.595400    
 C   -4.512800      0.2664000     -0.4235000    
 C   -3.837200      0.2107000      0.7956000    
 C   -3.794200      0.2772000      -1.618900    
 C   -6.562200     -0.3308000      0.6249000    
 C   -7.905700     -0.8176000      0.1251000    
 H    4.321400       2.931500      -1.050200    
 H    5.808000       2.126000     -0.5324000    
 H    4.769800       2.868200      0.6914000    
 H    3.868200      -3.423900     -0.2296000    
 H    5.386900      -2.661500      0.3119000    
 H    4.933400      -2.603300      -1.401400    
 H   0.1175000      0.1429000      -1.266800    
 H    1.086700       2.500700      0.6983000    
 H    2.610800       3.264900      0.3332000    
 H   -1.992200      0.1311000       1.800000    
 H   -1.850100      0.2413000      -2.532100    
 H   -4.358200      0.2290000       1.748400    
 H   -4.315100      0.3207000      -2.571600    
 H   -6.013700      -1.205200      0.9972000    
 H   -6.707800      0.3860000       1.440500    
 H   -8.467400      -1.307400      0.9254000    
 H   -8.498700      1.7700000E-02 -0.2619000    
 H   -7.776800      -1.525300     -0.7006000    


%chk=000100272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100272

0 1
O 1.718943 -1.664444 -1.230044
O 6.047248 -0.056902 -0.563710
O -5.979420 -0.892326 -0.239256
O 0.072527 1.651378 0.915197
N 4.261703 1.179670 0.326183
N 3.873332 -0.843641 -0.887042
N -0.345947 -0.332175 -0.265830
N 2.468622 2.438798 1.228853
C 1.959048 0.401818 0.016249
C 2.889697 1.351111 0.531521
C 2.455523 -0.741655 -0.720430
C 4.802737 0.073833 -0.391880
C 0.502330 0.616685 0.252988
C 5.226414 2.164590 0.856832
C 4.427282 -1.996687 -1.635699
C -1.763927 -0.385109 -0.201964
C -2.574332 0.585593 0.441123
C -2.391758 -1.496641 -0.835431
C -4.593858 -0.661060 -0.185597
C -3.979966 0.446841 0.447936
C -3.787506 -1.634526 -0.828180
C -6.862370 0.094129 0.411159
C -8.295422 -0.385131 0.195465
H 5.047148 3.164554 0.421635
H 6.230019 1.823749 0.564603
H 5.172678 2.214458 1.959609
H 3.577996 -2.617021 -1.953367
H 5.108593 -2.572653 -0.988636
H 4.995445 -1.638902 -2.509634
H 0.152380 -1.101217 -0.767953
H 1.414291 2.471951 1.324774
H 3.108347 3.131755 1.607899
H -2.095116 1.436553 0.927155
H -1.775981 -2.253850 -1.335543
H -4.578173 1.212238 0.951378
H -4.275110 -2.485438 -1.313114
H -6.616080 0.155108 1.491654
H -6.699056 1.093057 -0.044163
H -9.007161 0.319138 0.663568
H -8.524876 -0.451353 -0.881731
H -8.443544 -1.382677 0.643121


