%chk=000122065.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122065

0 1
 O    4.964700       1.964600     -0.2148000    
 O   -3.425700      -2.049300     -0.6761000    
 O   -2.384500       2.487700     -0.2438000    
 N   0.7328000     -0.7438000      6.3800000E-02
 N    3.576200     -0.4736000      9.8700002E-02
 N   -2.844400      0.2075000     -0.4846000    
 N   -4.517800       1.772900      9.6400000E-02
 C    1.378700      0.3926000     -0.6050000    
 C    1.501000      -1.124300       1.255300    
 C    2.802200      3.6699999E-02  -1.040000    
 C    2.929200      -1.529800      0.8831000    
 C  -0.6444000     -0.4105000      0.4258000    
 C   -1.458800     -0.1002000     -0.8214000    
 C    4.972500     -0.4242000      1.9600000E-02
 C    5.662000      0.7960000     -0.1370000    
 C    5.734500      -1.607700      9.5600002E-02
 C   -3.736000     -0.8822000     -0.4497000    
 C   -3.186800       1.550300     -0.2154000    
 C   -5.135000     -0.5575000     -0.1102000    
 C   -5.483800      0.7636000      0.1526000    
 C    7.054200      0.8306000     -0.2145000    
 C    7.126900      -1.573200      1.8200001E-02
 C    7.786700     -0.3541000     -0.1370000    
 C   -6.106100      -1.562400     -5.1500000E-02
 C   -6.802900       1.091400      0.4759000    
 C   -7.423900      -1.234800      0.2710000    
 C   -7.771900      8.9900002E-02  0.5342000    
 C    4.700500       2.643800       1.010900    
 H    1.401700       1.272900      5.1199999E-02
 H   0.8681000      0.6783000      -1.527700    
 H    1.023200      -1.975500       1.755500    
 H    1.531600     -0.2965000       1.976900    
 H    3.252000      0.9214000      -1.500400    
 H    2.770200     -0.7367000      -1.819200    
 H    2.907900      -2.463400      0.3063000    
 H    3.482500      -1.716700       1.811900    
 H  -0.6793000      0.4372000       1.123200    
 H   -1.103400      -1.262300      0.9438000    
 H   -1.430400     -0.9497000      -1.514900    
 H   -1.080900      0.7696000      -1.363700    
 H    5.257100      -2.578600      0.2026000    
 H    7.575200       1.776400     -0.3362000    
 H   -4.811200       2.724900      0.2969000    
 H    7.697500      -2.495500      7.5300001E-02
 H    8.870700     -0.3273000     -0.1983000    
 H   -5.858400      -2.600900     -0.2527000    
 H   -7.086700       2.119800      0.6834000    
 H   -8.180100      -2.013100      0.3172000    
 H   -8.798200      0.3416000      0.7850000    
 H    4.110700       2.013500       1.684000    
 H    4.125500       3.545900      0.7850000    
 H    5.636900       2.937700       1.495600    


%chk=000122065-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122065

0 1
O 5.227696 2.127163 -0.009911
O -3.390203 -2.193504 -0.049056
O -2.473157 2.295082 -1.083104
N 0.763602 -0.518385 0.077405
N 3.649045 -0.319486 0.200154
N -2.934100 0.033022 -0.601527
N -4.636255 1.690708 -0.477790
C 1.453117 0.744352 -0.286309
C 1.537475 -1.241317 1.111904
C 2.867901 0.454873 -0.807698
C 2.954231 -1.561332 0.602019
C -0.663087 -0.331086 0.413945
C -1.517816 -0.325645 -0.877274
C 5.063067 -0.366463 0.036098
C 5.833764 0.840861 -0.071492
C 5.781315 -1.596858 -0.000904
C -3.815606 -1.008927 -0.183316
C -3.292427 1.396404 -0.742682
C -5.216537 -0.601725 0.066315
C -5.606737 0.757562 -0.087516
C 7.226075 0.800205 -0.275834
C 7.182083 -1.631200 -0.173437
C 7.913452 -0.433684 -0.332072
C -6.176762 -1.564875 0.463594
C -6.949294 1.146143 0.154547
C -7.508901 -1.184779 0.703045
C -7.889220 0.174983 0.546455
C 4.698542 2.481305 1.325450
H 1.518757 1.430786 0.596541
H 0.877826 1.266476 -1.071250
H 1.019729 -2.188979 1.348246
H 1.623568 -0.646563 2.057465
H 3.396007 1.398588 -1.016825
H 2.791856 -0.128547 -1.753105
H 2.872494 -2.276776 -0.249984
H 3.524587 -2.048098 1.413316
H -0.841704 0.615889 0.978899
H -0.995785 -1.170327 1.050459
H -1.502639 -1.330410 -1.326367
H -1.127374 0.412955 -1.593690
H 5.235482 -2.542204 0.073363
H 7.754468 1.755065 -0.368196
H -4.883166 2.676299 -0.587469
H 7.695922 -2.598718 -0.203627
H 8.997544 -0.455131 -0.484323
H -5.842157 -2.601439 0.573497
H -7.249409 2.193683 0.036255
H -8.250051 -1.929619 1.008134
H -8.925986 0.475995 0.731942
H 3.939882 1.747442 1.655342
H 4.246913 3.478851 1.209719
H 5.524271 2.524385 2.061452


