%chk=000125104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125104

0 1
 O   -3.594700       1.256200      -1.583700    
 O    3.292700      -1.281900      0.8193000    
 O  -0.9993000      0.5264000       1.365800    
 O    4.822900      -2.937600       1.201800    
 N   -3.437600       1.594600      0.7075000    
 N   -6.374800      0.7585000     -0.7708000    
 N   2.5200000E-02   2.173400      4.4500001E-02
 N   -2.069900      -5.327200     -0.3315000    
 C   -4.920800      -1.257000     -0.6296000    
 C   -5.202100      0.1676000     -0.1290000    
 C   -3.707800      -1.909000      4.1999999E-02
 C   -3.496300      -3.338500     -0.4640000    
 C   -4.005000       1.060900     -0.4414000    
 C   -2.277900       2.456900      0.6915000    
 C   -2.265100      -3.975300      0.1785000    
 C   -1.026000       1.583100      0.7412000    
 C   -2.306500       3.431200       1.858900    
 C    1.335500       1.668600     -0.1320000    
 C    3.949100      0.6717000     -0.4921000    
 C    2.990400     -3.5700001E-02  0.2348000    
 C    1.692800      0.4439000      0.4220000    
 C    2.272200       2.397300     -0.8631000    
 C    5.290600      9.1100000E-02 -0.6390000    
 C    3.569300       1.903400      -1.042200    
 C    5.549900      -1.095600     -7.2200000E-02
 C    6.343900      0.8272000      -1.414500    
 C    4.549200      -1.854200      0.6972000    
 H   -5.806100      -1.880500     -0.4483000    
 H   -4.762700      -1.247100      -1.716400    
 H   -5.387200      0.1307000      0.9506000    
 H   -2.804100      -1.323200     -0.1608000    
 H   -3.851100      -1.920000       1.129100    
 H   -4.386800      -3.940100     -0.2420000    
 H   -3.378900      -3.325700      -1.555000    
 H   -2.292900       3.020100     -0.2493000    
 H   -3.800100       1.315400       1.614400    
 H   -1.373300      -3.379000     -4.2700000E-02
 H   -2.381400      -4.010500       1.267200    
 H   -7.189400      0.1696000     -0.6019000    
 H   -6.581400       1.660000     -0.3420000    
 H   -2.290000       2.902300       2.818700    
 H   -3.212500       4.045800       1.832700    
 H   -1.438100       4.097900       1.834700    
 H  -0.1481000       3.074200     -0.3963000    
 H    1.024900     -0.1813000      0.9972000    
 H   -2.882500      -5.899800     -0.1063000    
 H   -1.277200      -5.756500      0.1439000    
 H    2.007400       3.356200      -1.302400    
 H    4.267900       2.504000      -1.619100    
 H    6.530200      -1.554200     -0.1605000    
 H    7.291400      0.2773000      -1.440600    
 H    6.029100      0.9767000      -2.452900    
 H    6.549800       1.803000     -0.9617000    


%chk=000125104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125104

0 1
O -2.882136 1.989815 -1.017522
O 3.649925 -0.092133 1.995796
O -0.617142 1.903804 2.979572
O 5.640217 -1.007320 2.721093
N -3.538838 1.680463 1.184957
N -5.709142 0.990573 -1.494840
N -0.597128 1.848776 0.619630
N -0.576904 -4.501149 -1.187832
C -4.018190 -0.805600 -1.319114
C -4.706932 0.378697 -0.599454
C -2.965212 -1.544602 -0.463755
C -2.300356 -2.710864 -1.228454
C -3.638475 1.404997 -0.159608
C -2.609019 2.702413 1.733869
C -1.182816 -3.395974 -0.415670
C -1.167309 2.113648 1.860619
C -3.115128 3.220592 3.084804
C 0.643888 1.229353 0.340989
C 3.098322 -0.034402 -0.407251
C 2.776140 0.244638 0.956204
C 1.573777 0.866933 1.343849
C 0.937969 0.964201 -1.034070
C 4.368063 -0.685061 -0.709919
C 2.140165 0.346513 -1.391399
C 5.220381 -1.010980 0.329673
C 4.740005 -0.998390 -2.142578
C 4.928083 -0.743172 1.732791
H -4.816255 -1.501256 -1.639068
H -3.533600 -0.413956 -2.236360
H -5.238015 -0.005508 0.295293
H -2.173645 -0.836528 -0.142803
H -3.438450 -1.931372 0.463635
H -3.072123 -3.461185 -1.502813
H -1.862421 -2.345194 -2.177242
H -2.577130 3.519615 0.987001
H -4.099102 1.143783 1.851825
H -0.389271 -2.652847 -0.204509
H -1.599216 -3.709161 0.574644
H -5.286451 1.344889 -2.361624
H -6.296562 1.702515 -1.045794
H -3.108630 2.418362 3.843350
H -4.134790 3.631804 2.984286
H -2.448411 4.014649 3.457855
H -1.216075 2.050645 -0.193600
H 1.370667 1.058016 2.398274
H -1.238656 -5.249501 -1.420779
H 0.286616 -4.874579 -0.781270
H 0.209672 1.244790 -1.803177
H 2.345320 0.147774 -2.447802
H 6.180780 -1.499325 0.142899
H 5.726243 -1.486406 -2.198602
H 3.996773 -1.671764 -2.609531
H 4.777326 -0.078730 -2.756268


