%chk=000124689.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124689

0 1
 O    4.199700      0.6048000      0.2513000    
 O    2.188700       2.299600     -0.6180000    
 O    3.600400      -2.026100      0.8767000    
 N   -1.016700      -1.266800     -0.2385000    
 N   -3.357900      -1.414700     -0.3001000    
 N   -2.262300      0.6757000      0.1867000    
 C   0.3055000     -0.7924000     -0.1145000    
 C    2.921200      0.1461000      0.1312000    
 C    1.911300       1.002500     -0.3070000    
 C    2.623400      -1.179500      0.4468000    
 C   0.6035000      0.5332000     -0.4299000    
 C    1.315500      -1.648800      0.3240000    
 C   -2.271300     -0.6392000     -0.1115000    
 C   -4.542300     -0.7815000     -0.1708000    
 C   -3.480200       1.244600      0.3010000    
 C   -4.665800      0.5592000      0.1313000    
 C   -5.768900      -1.605900     -0.3736000    
 C   -3.511800       2.699200      0.6306000    
 C    4.821900       1.102900     -0.9309000    
 C    2.085900       3.254900      0.4359000    
 C    4.300200      -2.767700     -0.1206000    
 H  -0.1467000       1.216600     -0.8152000    
 H    1.088800      -2.682900      0.5730000    
 H   -1.092800      -2.275600     -0.3284000    
 H   -5.630400       1.042200      0.2289000    
 H   -6.359100      -1.211900      -1.207100    
 H   -5.511200      -2.645000     -0.6042000    
 H   -6.383300      -1.603900      0.5324000    
 H   -4.035700       2.863900       1.577600    
 H   -4.019700       3.258400     -0.1616000    
 H   -2.498300       3.101600      0.7311000    
 H    4.731900       2.191900     -0.9717000    
 H    4.408100      0.6513000      -1.839300    
 H    5.885900      0.8535000     -0.8814000    
 H    2.352100       4.236800      3.5200000E-02
 H    1.059900       3.297500      0.8150000    
 H    2.777000       3.009400       1.248400    
 H    4.810900      -2.094500     -0.8162000    
 H    3.611400      -3.420100     -0.6666000    
 H    5.049400      -3.389000      0.3775000    


%chk=000124689-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124689

0 1
O 4.245138 0.453327 -0.331808
O 2.136138 2.411403 -0.178476
O 3.476769 -2.353585 -0.355200
N -1.184634 -1.204595 -0.134990
N -3.482045 -1.414405 -0.098367
N -2.467623 0.816853 -0.006987
C 0.146689 -0.723777 -0.146399
C 2.884911 0.061122 -0.226466
C 1.843206 1.026527 -0.141640
C 2.532132 -1.317612 -0.221228
C 0.485967 0.653427 -0.111104
C 1.176956 -1.701488 -0.180676
C -2.404056 -0.545882 -0.077044
C -4.719829 -0.853659 -0.045596
C -3.724118 1.367291 0.045003
C -4.882617 0.559938 0.026980
C -5.906702 -1.789794 -0.062256
C -3.784169 2.874476 0.121498
C 4.589064 0.995370 -1.670009
C 2.948035 2.909274 0.954810
C 4.605201 -2.353837 0.602404
H -0.294163 1.413175 -0.063451
H 0.948539 -2.772882 -0.189187
H -1.306413 -2.220008 -0.177384
H -5.879281 1.006312 0.067346
H -6.605009 -1.531070 -0.879205
H -5.563994 -2.827073 -0.196637
H -6.473074 -1.723479 0.885581
H -3.258813 3.231191 1.025701
H -4.823702 3.240402 0.143941
H -3.265221 3.320363 -0.745929
H 3.972717 1.885317 -1.891496
H 4.434675 0.220850 -2.443905
H 5.654205 1.269495 -1.615147
H 3.104263 3.980195 0.752746
H 2.391942 2.783488 1.903598
H 3.915472 2.379346 1.009666
H 4.227259 -2.491190 1.634266
H 5.181288 -1.416721 0.531175
H 5.223096 -3.217788 0.313371


