%chk=000059430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059430

0 1
 O   -5.101400       1.228000     -0.4238000    
 O   -1.286500      -2.569900      -1.315600    
 O   -3.718800      0.7729000       1.366000    
 N   -2.021500      -1.496500      0.6050000    
 N    4.164400      5.3199999E-02  0.5600000    
 N    5.766900       1.336500     -0.2408000    
 N    4.506500      0.8153000     -0.3702000    
 C   -3.392300      -1.925300      0.5264000    
 C   -4.257400     -0.9527000     -0.2653000    
 C   0.3102000      -1.357100     -9.9799998E-02
 C   -1.067300      -1.860200     -0.3374000    
 C   -4.299800      0.4319000      0.3449000    
 C   0.4791000     -0.1885000      0.6135000    
 C    1.376500      -2.073600     -0.6021000    
 C    2.867800     -0.4210000      0.3372000    
 C    1.772400      0.2849000      0.8344000    
 C    2.669900      -1.600200     -0.3810000    
 C   -5.253300       2.575300      3.4800000E-02
 C   -6.163400       3.320800     -0.9181000    
 C    6.191400       2.223900      -1.304400    
 C    6.456600       1.402600       1.036100    
 H   -3.759900      -2.014900       1.554500    
 H   -3.434500      -2.918200      6.5499999E-02
 H   -3.870900     -0.8592000      -1.286700    
 H   -5.281900      -1.338400     -0.3062000    
 H   -1.762100     -0.9611000       1.426200    
 H  -0.3464000      0.4090000      0.9860000    
 H    1.239900      -2.995800      -1.158800    
 H    1.916600       1.208400       1.389300    
 H    3.517300      -2.158500     -0.7708000    
 H   -4.272400       3.062600      6.7400001E-02
 H   -5.691600       2.571900       1.039000    
 H   -7.142800       2.834500     -0.9753000    
 H   -5.747000       3.317100      -1.930800    
 H   -6.301700       4.356900     -0.5968000    
 H    5.696000       1.948400      -2.240300    
 H    7.273100       2.136300      -1.438200    
 H    5.929600       3.250900      -1.036100    
 H    6.058600       2.244700       1.608700    
 H    7.526100       1.551600      0.8611000    
 H    6.332700      0.4724000       1.596600    


%chk=000059430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059430

0 1
O -5.701492 1.119296 -0.223786
O -1.014010 -2.749512 -1.262106
O -3.803498 0.831269 1.088018
N -2.049333 -1.246281 0.176271
N 4.162844 0.859340 0.366663
N 6.354179 1.018273 -0.044477
N 5.192254 0.360455 -0.294913
C -3.382247 -1.827670 -0.002883
C -4.373732 -0.837164 -0.654630
C 0.374374 -1.040041 -0.233623
C -0.934374 -1.742657 -0.480886
C -4.564040 0.426767 0.169232
C 0.534493 0.088404 0.615517
C 1.519214 -1.550232 -0.904677
C 2.938718 0.168667 0.109778
C 1.798391 0.682811 0.784018
C 2.783313 -0.963611 -0.743181
C -5.971953 2.415275 0.479255
C -7.223004 3.008277 -0.159310
C 7.541878 0.518426 -0.740705
C 6.423993 2.165154 0.876206
H -3.779984 -2.162485 0.974662
H -3.259230 -2.712454 -0.650030
H -4.003286 -0.542614 -1.655630
H -5.358864 -1.313122 -0.810705
H -2.003238 -0.419948 0.775604
H -0.313373 0.522918 1.157711
H 1.374159 -2.420698 -1.553173
H 1.932497 1.552012 1.436147
H 3.658273 -1.363440 -1.263801
H -5.084724 3.063388 0.362582
H -6.102813 2.201273 1.555307
H -8.085591 2.330327 -0.043214
H -7.066797 3.192440 -1.235791
H -7.468782 3.970224 0.326190
H 7.230058 -0.326244 -1.373244
H 8.309298 0.169695 -0.023436
H 7.989469 1.303599 -1.379338
H 5.746725 2.971277 0.539886
H 7.463207 2.528776 0.905324
H 6.095730 1.868728 1.889267


