%chk=000041526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041526

0 1
 O    4.193400      -1.465900     -0.6159000    
 O    2.298400      -2.383200      0.2670000    
 O    2.431500       2.391900     -0.1520000    
 N   -4.221000      -1.020000     -0.4971000    
 N   -4.110900       1.381300     -0.6685000    
 N   -2.748600      -2.183200      0.9532000    
 N   -5.666700      0.1536000      -1.924700    
 C    3.756300     -8.9400001E-02 -0.5672000    
 C    2.395000      2.2000000E-03  4.3900002E-02
 C    1.726300      -1.158000      0.4346000    
 C    1.793300       1.247900      0.2233000    
 C  -0.1455000      0.1731000       1.184200    
 C    4.868900      0.6542000      0.2125000    
 C    3.735600      0.4248000      -2.023000    
 C   0.4561000      -1.072400       1.004800    
 C   0.5231000       1.333200      0.7934000    
 C   -1.503500      0.2644000       1.793800    
 C   -2.634600      0.2074000      0.7869000    
 C   -3.214100     -0.9650000      0.3994000    
 C   -3.107300       1.362400      0.2331000    
 C    2.046400      -3.052500     -0.9668000    
 C    1.742000       3.620500      6.8599999E-02
 C   -4.614200      0.1726000     -0.9837000    
 H    5.855200      0.4182000     -0.2048000    
 H    4.752000       1.740900      0.1991000    
 H    4.886900      0.3300000       1.259900    
 H    4.690300      0.2058000      -2.516500    
 H    3.559600       1.500300      -2.106400    
 H    2.965200     -9.2500001E-02  -2.607600    
 H  -3.2200001E-02  -1.982400       1.337500    
 H   6.2000002E-03   2.272500      0.9580000    
 H   -1.625600     -0.5054000       2.566300    
 H   -1.586200       1.200400       2.365500    
 H    4.415700      -1.745400      0.2892000    
 H   -2.703400       2.336700      0.4858000    
 H    1.066600      -3.538400     -0.9205000    
 H    2.808100      -3.824800      -1.105800    
 H    2.069400      -2.369900      -1.822700    
 H    1.571400       3.802700       1.135100    
 H   0.8197000       3.678000     -0.5196000    
 H    2.395200       4.423500     -0.2887000    
 H   -2.783000      -2.241200       1.965700    
 H   -1.875900      -2.518000      0.5613000    
 H   -6.077500     -0.7299000      -2.193000    
 H   -5.997200       1.023800      -2.318200    


%chk=000041526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041526

0 1
O 4.669261 -1.297419 -0.546108
O 2.948654 -2.329860 1.095220
O 2.026322 2.104401 -0.725857
N -4.058419 0.002083 -1.124871
N -4.610782 1.664142 0.591295
N -2.240828 -1.442853 -0.906914
N -5.898439 1.431745 -1.354342
C 3.939159 -0.010434 -0.582736
C 2.514842 -0.130741 0.036190
C 2.057191 -1.250898 0.782009
C 1.569936 0.948824 -0.068325
C -0.160498 -0.282390 1.166611
C 4.762328 1.038307 0.213352
C 3.903821 0.319958 -2.092054
C 0.752767 -1.340736 1.327028
C 0.264118 0.868751 0.463190
C -1.560574 -0.348339 1.786447
C -2.686258 0.163778 0.906177
C -2.994763 -0.416942 -0.374202
C -3.543323 1.205578 1.310439
C 2.674349 -3.588882 0.366145
C 1.099779 3.229425 -0.882375
C -4.820152 1.015777 -0.605037
H 5.780760 1.079495 -0.210839
H 4.301729 2.038480 0.154819
H 4.840081 0.742324 1.275518
H 4.937791 0.250074 -2.472249
H 3.505247 1.326326 -2.281188
H 3.291936 -0.424801 -2.629981
H 0.489182 -2.225016 1.918807
H -0.441560 1.695502 0.342288
H -1.760356 -1.396852 2.090068
H -1.562573 0.244312 2.723734
H 4.450705 -1.745174 0.320323
H -3.375560 1.704816 2.274176
H 1.639858 -3.931143 0.552102
H 3.388715 -4.325028 0.765056
H 2.844820 -3.438703 -0.715934
H 0.782169 3.629637 0.099520
H 0.209126 2.939661 -1.471869
H 1.673211 3.994190 -1.426707
H -1.335790 -1.688012 -0.510175
H -2.505794 -1.792776 -1.825956
H -6.095190 0.977496 -2.241182
H -6.486598 2.176717 -0.992211


