%chk=000056444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056444

0 1
 O   -2.258200       2.393500     -0.1191000    
 O   -4.934600      -2.227800      9.2200004E-02
 O    1.938000      -3.469100     -6.4000003E-02
 O    4.299800      -2.279200      -1.086500    
 N    1.343400      -1.171800     -0.1019000    
 N    4.022700      -1.138800      0.9472000    
 C   -2.145000      4.8000000E-02 -5.0299998E-02
 C   -2.844500      -1.159500      4.4000000E-03
 C   -4.347700       1.324800     -3.2099999E-02
 C   -5.047200      0.1174000      2.2700001E-02
 C   -2.871000       1.334200     -7.0699997E-02
 C   -4.321000      -1.168900      4.3499999E-02
 C  -0.7454000      4.3299999E-02 -8.5600004E-02
 C  -5.1600002E-02  -1.167100     -6.6299997E-02
 C   -2.144200      -2.371800      2.3100000E-02
 C  -0.7495000      -2.372000     -1.2100000E-02
 C   -5.047900       2.537100     -5.0700001E-02
 C   -6.446700      0.1222000      5.8800001E-02
 C   -6.442600       2.537300     -1.4100000E-02
 C   -7.140500       1.332500      4.0300000E-02
 C    5.374600     -0.6667000       1.134300    
 C    2.187900      -2.275700     -9.0300001E-02
 C    5.590000      0.6822000      0.5113000    
 C    3.635800      -1.890400     -0.1389000    
 C    6.017200      0.7699000     -0.8085000    
 C    5.360300       1.830100       1.260500    
 C    6.217800       2.023200      -1.387200    
 C    5.560600       3.083500      0.6819000    
 C    5.989400       3.179900     -0.6419000    
 H  -0.1902000      0.9777000     -0.1281000    
 H   -2.666200      -3.324100      6.5700002E-02
 H  -0.2754000      -3.344100      6.6000000E-03
 H   -4.527100       3.489900     -9.3099996E-02
 H   -7.014100     -0.8037000      0.1016000    
 H   -6.985100       3.478300     -2.8300000E-02
 H   -8.226300       1.335500      6.8400003E-02
 H    1.784400     -0.2551000     -0.1387000    
 H    6.075200      -1.397700      0.7129000    
 H    5.565000     -0.6291000       2.213000    
 H    3.332800     -0.8931000       1.651600    
 H    6.200600     -0.1233000      -1.398900    
 H    5.024500       1.766700       2.291800    
 H    6.552100       2.098400      -2.417800    
 H    5.382300       3.984300       1.261900    
 H    6.145400       4.155700      -1.092500    


%chk=000056444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056444

0 1
O -2.055336 2.226675 -0.732430
O -5.096974 -2.188063 0.603010
O 1.840286 -3.749941 0.398212
O 4.387597 -2.787710 -0.987053
N 1.338001 -1.484982 -0.050095
N 4.143329 -1.189298 0.708922
C -2.125154 -0.112983 -0.142489
C -2.909727 -1.253366 0.201943
C -4.250551 1.292073 -0.346903
C -5.033542 0.150154 -0.001767
C -2.761373 1.212284 -0.429559
C -4.395109 -1.173016 0.290833
C -0.722655 -0.220985 -0.218574
C -0.079254 -1.455450 0.042958
C -2.254917 -2.482902 0.461010
C -0.857103 -2.600668 0.386099
C -4.890493 2.527208 -0.617559
C -6.443509 0.263213 0.067181
C -6.293889 2.630274 -0.546865
C -7.072154 1.495328 -0.203680
C 5.537243 -0.693257 0.655027
C 2.200232 -2.577487 0.116943
C 5.605306 0.810315 0.416905
C 3.684109 -2.203539 -0.117509
C 5.091931 1.368937 -0.782681
C 6.185265 1.669734 1.381496
C 5.154205 2.760589 -1.009424
C 6.250878 3.064616 1.156007
C 5.733395 3.613323 -0.038800
H -0.156080 0.679429 -0.487141
H -2.871903 -3.348584 0.721441
H -0.357872 -3.551252 0.579934
H -4.265557 3.386606 -0.880148
H -7.019721 -0.628296 0.334120
H -6.784495 3.586457 -0.757215
H -8.162940 1.576801 -0.149542
H 1.780303 -0.607114 -0.341862
H 6.019447 -1.256677 -0.164375
H 6.057081 -0.957265 1.595403
H 3.533870 -0.824111 1.445599
H 4.658781 0.708040 -1.544049
H 6.590415 1.248134 2.310144
H 4.760235 3.181030 -1.941378
H 6.703467 3.718923 1.909227
H 5.782729 4.693402 -0.215217


