%chk=000091887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091887

0 1
 O   -3.307400      -1.277900     -0.6810000    
 O   -6.750900      0.2200000      0.3154000    
 O   -4.912200     -8.2300000E-02   1.617300    
 N   -1.305900      0.6920000     -0.8199000    
 N  -0.7571000       2.467800      0.5039000    
 C   0.6048000      0.4644000      0.7918000    
 C    1.922700      0.7045000      6.1600000E-02
 C  -0.5074000       1.229500      0.1550000    
 C    3.101000     -1.9400001E-02  0.7227000    
 C   -2.176900       1.715500      -1.336500    
 C    4.399800      0.2193000     -5.1600002E-02
 C   -1.931700       2.850700     -0.3342000    
 C    5.612100     -0.4918000      0.5569000    
 C   -1.157100     -0.5741000      -1.487500    
 C    6.905300     -0.2742000     -0.2317000    
 C   -1.935800      -1.647400     -0.7459000    
 C    8.094000     -0.9443000      0.4590000    
 C    9.389000     -0.7005000     -0.2994000    
 C   -4.078000      -2.254200      5.7999999E-03
 C   -5.529800      -1.811300      4.6000000E-02
 C   -5.678500     -0.4865000      0.7524000    
 H   0.3711000     -0.6033000      0.8170000    
 H   0.6947000      0.7954000       1.833500    
 H    2.131500       1.781500      2.8800000E-02
 H    1.832400      0.3796000     -0.9820000    
 H    2.893000      -1.095100      0.7664000    
 H    3.217500      0.3316000       1.754900    
 H   -1.873700       2.017500      -2.344800    
 H   -3.227600       1.411300      -1.351300    
 H    4.602100       1.296700     -9.5899999E-02
 H    4.270500     -0.1210000      -1.086600    
 H   -2.801500       2.990300      0.3173000    
 H   -1.733200       3.795800     -0.8495000    
 H    5.404800      -1.567300      0.6188000    
 H    5.750200     -0.1368000       1.585800    
 H  -0.1047000     -0.8615000      -1.574000    
 H   -1.545500     -0.4931000      -2.510200    
 H    6.789500     -0.6751000      -1.245700    
 H    7.096200      0.8014000     -0.3289000    
 H   -1.547500      -1.774100      0.2708000    
 H   -1.837400      -2.600800      -1.277700    
 H    8.199000     -0.5578000       1.479500    
 H    7.918700      -2.023600      0.5370000    
 H    9.610000      0.3697000     -0.3647000    
 H    10.22480      -1.189400      0.2106000    
 H    9.329500      -1.101900      -1.316100    
 H   -3.689200      -2.381200       1.023200    
 H   -4.005500      -3.214200     -0.5182000    
 H   -5.891800      -1.687500     -0.9813000    
 H   -6.151000      -2.552100      0.5582000    
 H   -6.833900       1.082000      0.7764000    


%chk=000091887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091887

0 1
O -3.223402 -1.576621 -0.623837
O -6.473890 0.055771 -2.423849
O -5.887447 0.251126 -0.187247
N -1.326533 0.572549 0.569833
N -0.718837 2.753620 1.063609
C 0.985474 1.022312 1.574804
C 2.041658 0.851710 0.448205
C -0.361504 1.482093 1.066194
C 3.416557 0.400353 0.989042
C -2.419422 1.372366 -0.059709
C 4.475601 0.226090 -0.122711
C -2.113964 2.800947 0.498450
C 5.851404 -0.236880 0.408359
C -1.046305 -0.791686 0.121448
C 6.905457 -0.422095 -0.706402
C -2.189544 -1.776712 0.401717
C 8.281221 -0.888688 -0.177260
C 9.325613 -1.077853 -1.298755
C -4.468132 -2.291329 -0.326642
C -5.477831 -1.877155 -1.396503
C -5.933409 -0.438292 -1.228877
H 0.884346 0.075262 2.141843
H 1.339398 1.790956 2.283386
H 2.145641 1.818064 -0.082032
H 1.686623 0.117643 -0.303797
H 3.301262 -0.557808 1.538931
H 3.779749 1.142103 1.730373
H -2.333701 1.317041 -1.166981
H -3.415069 0.995023 0.221515
H 4.596403 1.185861 -0.666784
H 4.106119 -0.508612 -0.868902
H -2.814267 3.069602 1.312970
H -2.182964 3.586645 -0.273870
H 5.728673 -1.193328 0.958994
H 6.226036 0.500974 1.148403
H -0.144562 -1.154535 0.645453
H -0.834040 -0.828131 -0.972866
H 6.530612 -1.158888 -1.447766
H 7.031049 0.534095 -1.256365
H -2.606535 -1.594764 1.415208
H -1.813628 -2.823068 0.347154
H 8.657133 -0.149592 0.559525
H 8.153745 -1.841396 0.376654
H 9.491945 -0.131892 -1.848024
H 10.299896 -1.410137 -0.895178
H 8.986972 -1.834737 -2.031481
H -4.836773 -2.013780 0.683522
H -4.302251 -3.390385 -0.360252
H -5.047617 -2.004445 -2.404173
H -6.376435 -2.522797 -1.343306
H -6.787525 0.990197 -2.280621


