%chk=000122038.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122038

0 1
 O    1.088600     -0.1628000       2.082000    
 O    3.629600      6.9899999E-02  -1.096100    
 O  -0.6720000     -0.2703000       3.581400    
 O    4.104600       4.745300     -0.5382000    
 O    4.072600      -4.639300      -1.250200    
 O   -4.513600       1.392600      -2.380100    
 O   -5.112500      -1.279000       1.357800    
 N   -4.297700      4.9199998E-02 -0.4340000    
 C    1.280200     -5.3399999E-02  0.6358000    
 C  -0.1321000     -1.1000000E-02  0.1480000    
 C    2.040600       1.227600      0.3552000    
 C    2.031700      -1.282500      0.1642000    
 C   -1.001100     -8.9500003E-02   1.221400    
 C    3.147700       1.210500     -0.5008000    
 C    3.139800      -1.144100     -0.6793000    
 C  -0.2317000     -0.1863000       2.452400    
 C  -0.6267000      8.9199997E-02  -1.142900    
 C    1.645800       2.457800      0.9104000    
 C    1.627800      -2.579700      0.5270000    
 C   -2.375700     -7.3100001E-02   1.073800    
 C   -2.881200      2.7500000E-02 -0.2226000    
 C   -2.012700      0.1084000      -1.324000    
 C    3.836500       2.389800     -0.8038000    
 C    3.821000      -2.268900      -1.156800    
 C    2.337500       3.633500      0.6135000    
 C    2.311900      -3.701800      5.6299999E-02
 C    3.431700       3.599500     -0.2452000    
 C    3.407500      -3.546300     -0.7871000    
 C   -4.937500      0.6969000      -1.471700    
 C   -5.231700     -0.5745000      0.3687000    
 C   -6.377300      0.4523000      -1.302800    
 C   -6.551400     -0.2875000     -0.2122000    
 H   3.9099999E-02  0.1453000      -1.997600    
 H   0.7891000       2.515200       1.577200    
 H   0.7700000      -2.731100       1.177400    
 H   -3.012900     -0.1116000       1.949400    
 H   -2.387700      0.1577000      -2.342100    
 H    4.692200       2.356200      -1.474400    
 H    4.678200      -2.147400      -1.814900    
 H    2.013200       4.572600       1.053500    
 H    1.975300      -4.691500      0.3532000    
 H   -7.141600      0.8302000      -1.960900    
 H   -7.485400     -0.6396000      0.1925000    
 H    4.833200       4.536300      -1.147700    
 H    3.650100      -5.439700     -0.8939000    


%chk=000122038-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122038

0 1
O 1.201598 -0.124595 2.019295
O 4.134597 -0.002014 -0.397219
O -0.497418 -0.225910 3.622626
O 4.221068 4.838928 -0.466403
O 4.290225 -4.720888 -1.027171
O -4.664415 1.568732 -2.134865
O -5.025502 -1.503564 1.430695
N -4.410314 0.032129 -0.308016
C 1.298986 -0.031519 0.452098
C -0.176677 -0.000571 0.060630
C 2.057569 1.238349 0.136189
C 2.041820 -1.268109 -0.007190
C -0.997986 -0.079347 1.200449
C 3.427611 1.200862 -0.216434
C 3.415759 -1.210988 -0.355056
C -0.153690 -0.154070 2.428349
C -0.753748 0.093838 -1.218113
C 1.455012 2.518026 0.266985
C 1.423138 -2.542975 -0.016986
C -2.401195 -0.065237 1.122423
C -2.981605 0.021542 -0.165710
C -2.161240 0.097214 -1.327281
C 4.184068 2.372147 -0.426945
C 4.156733 -2.358181 -0.693228
C 2.177014 3.701670 0.062820
C 2.132977 -3.707658 -0.350839
C 3.551448 3.622834 -0.280320
C 3.510588 -3.607813 -0.685084
C -5.148547 0.800953 -1.270855
C -5.330058 -0.719714 0.503233
C -6.601965 0.501378 -1.025354
C -6.707401 -0.380663 0.003306
H -0.131452 0.159150 -2.115959
H 0.397773 2.579557 0.545370
H 0.365477 -2.621335 0.255425
H -3.005769 -0.128989 2.030099
H -2.629759 0.173343 -2.311170
H 5.240213 2.277332 -0.701519
H 5.213349 -2.278450 -0.956780
H 1.712582 4.685053 0.169667
H 1.630136 -4.682179 -0.343856
H -7.385716 0.965200 -1.624082
H -7.598121 -0.820907 0.451226
H 5.175118 4.695021 -0.685446
H 3.760722 -5.554982 -0.977204


