%chk=000178089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178089

0 1
 O   -1.653100      0.9173000     -0.6942000    
 O   0.6906000      0.9486000     -0.4735000    
 N   -1.904900      -2.438300      9.6000005E-03
 C  -0.4914000      0.1473000     -0.3382000    
 C  -0.4107000      -1.026600      -1.326600    
 C   -4.371900       1.958300     -0.2197000    
 C   -3.084000       2.794700     -0.2928000    
 C   -1.681400      -1.877200      -1.318200    
 C   -1.837300       2.041900      0.1560000    
 C   -3.117800      -3.243100      3.5200000E-02
 C   -4.615400       1.503800       1.221300    
 C   -5.592700       2.722600     -0.7336000    
 C    1.757200      0.6997000      0.3427000    
 C   -3.048000      -4.229900       1.196500    
 C   -4.346200      -2.345200      0.1521000    
 C    3.008900      0.3369000     -0.1807000    
 C    4.083800      8.8299997E-02  0.7058000    
 C    1.567800      0.8155000       1.720100    
 C    3.217700      0.2154000      -1.564200    
 C    3.875400      0.2100000       2.089300    
 C    2.624900      0.5714000       2.591800    
 C    5.335600     -0.2743000      0.1826000    
 C    4.468000     -0.1461000      -2.066500    
 C    5.525000     -0.3907000      -1.194700    
 H  -0.6206000     -0.2201000      0.6867000    
 H  -0.2590000     -0.6363000      -2.341300    
 H   0.4678000      -1.644200      -1.102500    
 H   -4.257500       1.064900     -0.8461000    
 H   -3.192500       3.703200      0.3120000    
 H   -2.944100       3.115800      -1.333000    
 H   -2.526800      -1.265000      -1.648200    
 H   -1.557800      -2.682700      -2.052700    
 H  -0.9788000       2.717000      6.3299999E-02
 H   -1.903700       1.726100       1.201600    
 H   -3.202000      -3.842700     -0.8806000    
 H   -1.099200      -3.011000      0.2613000    
 H   -5.579500      0.9896000       1.304900    
 H   -3.853200      0.7957000       1.558700    
 H   -4.629200       2.353300       1.912500    
 H   -5.442500       3.035600      -1.772100    
 H   -6.490100       2.095900     -0.6990000    
 H   -5.780100       3.619400     -0.1335000    
 H   -2.961800      -3.712700       2.159000    
 H   -2.188100      -4.901500       1.094400    
 H   -3.949300      -4.851700       1.230700    
 H   -4.294500      -1.713100       1.045600    
 H   -4.469300      -1.693600     -0.7181000    
 H   -5.256100      -2.950900      0.2300000    
 H   0.6069000       1.113100       2.130900    
 H    2.413700      0.4004000      -2.273200    
 H    4.687700      2.4800001E-02   2.789200    
 H    2.478200      0.6659000       3.663800    
 H    6.176100     -0.4700000      0.8453000    
 H    4.616300     -0.2365000      -3.138600    
 H    6.498200     -0.6720000      -1.586400    


%chk=000178089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178089

0 1
O -1.478422 0.628991 -0.894612
O 0.812845 -0.100516 -0.895029
N -2.279104 -2.950791 -0.126155
C -0.605311 -0.488680 -0.659332
C -0.945892 -1.558578 -1.696310
C -3.974406 2.212638 -0.346918
C -2.513953 2.723011 -0.220860
C -2.312680 -2.211961 -1.412138
C -1.482236 1.660505 0.168553
C -3.570285 -3.551816 0.313242
C -4.522440 1.672202 0.995369
C -4.881041 3.341391 -0.891566
C 1.710173 0.110158 0.167297
C -3.280217 -4.617010 1.390184
C -4.520225 -2.462958 0.858665
C 3.062887 0.396003 -0.255555
C 4.075277 0.623854 0.753660
C 1.387872 0.057957 1.530518
C 3.422852 0.461514 -1.640185
C 3.719052 0.559659 2.142175
C 2.403305 0.283186 2.511586
C 5.415975 0.907801 0.329479
C 4.739152 0.740019 -2.019529
C 5.744524 0.964973 -1.026983
H -0.724900 -0.881783 0.369438
H -0.949132 -1.086694 -2.695379
H -0.143928 -2.321097 -1.688213
H -3.971147 1.381680 -1.080583
H -2.473825 3.533067 0.537591
H -2.200091 3.168481 -1.185182
H -3.077072 -1.417624 -1.347681
H -2.591773 -2.866002 -2.274993
H -0.472525 2.108974 0.246937
H -1.732845 1.181336 1.139262
H -4.082431 -4.057022 -0.545932
H -1.540299 -3.670559 -0.150270
H -5.571232 1.338472 0.884998
H -3.938298 0.808486 1.361871
H -4.499475 2.459406 1.774565
H -4.520369 3.708915 -1.870649
H -5.921595 2.990157 -1.022139
H -4.901064 4.201728 -0.193825
H -2.750916 -4.158396 2.245776
H -2.649191 -5.434155 0.989928
H -4.219188 -5.065325 1.760190
H -4.068285 -1.978997 1.743681
H -4.722085 -1.679907 0.106201
H -5.489813 -2.906681 1.151406
H 0.370699 -0.151469 1.870953
H 2.644001 0.291440 -2.388319
H 4.489907 0.731532 2.901675
H 2.127074 0.235538 3.570862
H 6.183109 1.080329 1.094028
H 5.005229 0.788522 -3.081249
H 6.773056 1.183096 -1.335800


