%chk=000019210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019210

0 1
 O   -4.181200       1.757700       1.317900    
 O   -5.892500       1.131700     -0.7806000    
 N  -0.1681000      -1.275500      0.4811000    
 N    2.495400     -0.3556000      1.3700000E-02
 N    3.934000       1.404900     -0.6242000    
 N    4.821700     -0.6310000      0.3108000    
 C   0.1340000     -0.4338000     -0.6829000    
 C   0.9795000      -2.139800      0.7837000    
 C    1.352400      0.4543000     -0.4186000    
 C    2.225200      -1.308200       1.097900    
 C   -1.365000      -2.079400      0.2364000    
 C   -2.572100      -1.220600     -3.2699998E-02
 C    3.792600      0.1560000     -0.1040000    
 C   -2.819500     -0.1186000      0.7738000    
 C   -3.420000      -1.543400      -1.082800    
 C   -3.937700      0.6771000      0.5249000    
 C   -4.538400     -0.7477000      -1.331400    
 C   -4.797300      0.3624000     -0.5276000    
 C    5.197800       1.867000     -0.7226000    
 C    6.058100     -0.1064000      0.1836000    
 C    6.309200       1.149100     -0.3313000    
 C   -3.607900       2.999800      0.9147000    
 H  -0.6894000      0.2405000     -0.9401000    
 H   0.3253000      -1.057000      -1.567600    
 H    1.191100      -2.813800     -5.7500001E-02
 H   0.7572000      -2.766400       1.656000    
 H    1.120000       1.202800      0.3496000    
 H    1.578500      0.9887000      -1.349400    
 H    3.056200      -2.008500       1.243000    
 H    2.089400     -0.7591000       2.038500    
 H   -1.592100      -2.692100       1.118700    
 H   -1.197100      -2.773000     -0.5987000    
 H   -2.166700      0.1296000       1.606700    
 H   -3.230000      -2.405800      -1.715300    
 H   -5.204200     -0.9981000      -2.152800    
 H    5.295500       2.863900      -1.139100    
 H    6.868900     -0.7446000      0.5181000    
 H    7.311900       1.544600     -0.4218000    
 H   -5.941500       1.831200     -0.1065000    
 H   -3.958700       3.284700     -8.2199998E-02
 H   -2.515100       2.936000      0.9233000    
 H   -3.918900       3.768200       1.627600    


%chk=000019210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019210

0 1
O -4.575864 1.893747 0.800045
O -6.184236 0.922521 -1.104770
N -0.137448 -0.975910 0.362571
N 2.511462 0.118236 0.310756
N 4.130997 1.063859 -1.126787
N 4.775218 -0.415414 0.726068
C 0.341309 -0.221750 -0.824484
C 0.985871 -1.693552 1.015876
C 1.421406 0.797371 -0.416033
C 2.076179 -0.698546 1.458631
C -1.278522 -1.872916 0.049825
C -2.557109 -1.114385 -0.290249
C 3.837252 0.258785 -0.038560
C -2.899179 0.053336 0.443005
C -3.436250 -1.582017 -1.292860
C -4.102062 0.722887 0.165452
C -4.652490 -0.911022 -1.568301
C -4.989959 0.242133 -0.841115
C 5.444610 1.189472 -1.446318
C 6.074292 -0.256078 0.364463
C 6.480778 0.546845 -0.727692
C -3.740080 2.476720 1.849963
H -0.515417 0.311205 -1.273221
H 0.760610 -0.911616 -1.600130
H 1.445166 -2.452177 0.332316
H 0.599263 -2.226089 1.905034
H 0.964594 1.560759 0.247108
H 1.852942 1.298148 -1.295405
H 2.956060 -1.220829 1.863234
H 1.659577 -0.031910 2.241756
H -1.448029 -2.498212 0.950423
H -1.040005 -2.578705 -0.785831
H -2.193922 0.411221 1.200253
H -3.175653 -2.477877 -1.868579
H -5.339271 -1.264598 -2.342880
H 5.664042 1.828698 -2.309871
H 6.807065 -0.794885 0.977009
H 7.531702 0.663111 -1.000281
H -6.234906 1.707018 -0.496063
H -2.753894 2.778056 1.448003
H -3.598879 1.763091 2.683973
H -4.286720 3.363067 2.203967


