%chk=000058970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058970

0 1
 O    5.255200       1.585800     -0.2784000    
 O    5.393400     -0.5401000     -0.8081000    
 N   -3.035800     -2.0199999E-02  0.4617000    
 N   0.5871000      -2.196100      3.9999999E-02
 N    4.736700      0.4513000     -0.4097000    
 C   -2.831400      0.3086000     -0.9561000    
 C   -4.185800      0.7082000       1.015500    
 C   -4.069600     -3.4000002E-02  -1.786200    
 C   -5.468200      0.3789000      0.2499000    
 C   -5.312200      0.6599000      -1.240400    
 C   -1.827400      0.2689000       1.233400    
 C  -0.6460000     -0.5261000      0.7444000    
 C   0.6481000     -2.0400001E-02  0.5295000    
 C    1.416000      -1.097600      8.2199998E-02
 C  -0.6747000      -1.851300      0.4439000    
 C    1.262400       1.240600      0.6646000    
 C    2.772900     -0.9766000     -0.2381000    
 C    3.360700      0.2837000     -9.6199997E-02
 C    2.618900       1.376600      0.3480000    
 H   -2.001100     -0.2525000      -1.396900    
 H   -2.597000       1.375000      -1.076500    
 H   -4.011400       1.792000      0.9907000    
 H   -4.333800      0.4261000       2.065100    
 H   -4.225500      -1.120400      -1.782900    
 H   -3.910400      0.2630000      -2.829100    
 H   -6.300800      0.9673000      0.6517000    
 H   -5.723000     -0.6783000      0.3976000    
 H   -5.228500       1.741500      -1.402100    
 H   -6.201700      0.3206000      -1.782600    
 H   -1.986900     -7.9999998E-04   2.285900    
 H   -1.602000       1.342600       1.210300    
 H   -1.461200      -2.592500      0.4766000    
 H   0.8703000      -3.122700     -0.2474000    
 H   0.7007000       2.103800       1.010000    
 H    3.323200      -1.846800     -0.5813000    
 H    3.062800       2.362900      0.4633000    


%chk=000058970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058970

0 1
O 5.656778 1.308267 0.190482
O 5.665455 -0.896163 -0.399971
N -3.043707 0.163960 0.289187
N 0.607277 -2.114014 -0.145907
N 5.051376 0.187432 -0.039275
C -3.110755 0.513919 -1.155277
C -4.224864 0.683536 1.026748
C -4.383523 -0.063101 -1.806063
C -5.532532 0.107104 0.447525
C -5.648397 0.422580 -1.061450
C -1.765091 0.591537 0.908912
C -0.601360 -0.276363 0.489376
C 0.794670 0.093239 0.428337
C 1.536489 -1.081752 0.025572
C -0.673521 -1.627675 0.135647
C 1.506462 1.302052 0.671435
C 2.930521 -1.082721 -0.136107
C 3.586495 0.140990 0.116868
C 2.899004 1.326187 0.514945
H -2.207808 0.115632 -1.652201
H -3.100644 1.628521 -1.290663
H -4.269541 1.804734 0.981672
H -4.123023 0.399791 2.091414
H -4.334048 -1.168996 -1.771343
H -4.418339 0.236398 -2.871153
H -6.395214 0.523841 1.001947
H -5.534242 -0.989963 0.597719
H -5.757011 1.518484 -1.199524
H -6.554966 -0.047313 -1.487329
H -1.892214 0.530700 2.008776
H -1.527851 1.664092 0.683553
H -1.560351 -2.253422 0.064080
H 0.827390 -3.063716 -0.438391
H 0.975723 2.208515 0.980017
H 3.512185 -1.957998 -0.437632
H 3.483173 2.232585 0.690373


