%chk=000116047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116047

0 1
 O  -0.4766000       1.932600     -0.3026000    
 N   0.7531000     -2.7000001E-03 -0.5168000    
 N   -1.579000     -6.2799998E-02  2.4100000E-02
 N    3.548800     -0.2868000      3.0600000E-02
 C    1.753200      0.5600000      -1.422000    
 C    1.233000      -1.146000      0.2680000    
 C    3.038900      0.9011000     -0.6713000    
 C    2.546900     -0.7983000      0.9782000    
 C  -0.4352000      0.6960000     -0.2657000    
 C   -1.823000      -1.408900     -0.4903000    
 C   -2.728100      0.5918000      0.6334000    
 C    4.799400      2.2700001E-02  0.7222000    
 C   -3.080300      -1.427400      -1.349900    
 C   -1.922300      -2.409000      0.6547000    
 C   -3.271100       1.675200     -0.2893000    
 C   -2.357700       1.162400       1.996700    
 H    1.356700       1.451300      -1.919800    
 H    1.948100     -0.1904000      -2.197900    
 H    1.357300      -1.999700     -0.4064000    
 H   0.5174000      -1.386100       1.046300    
 H    3.780900       1.255500      -1.396500    
 H    2.848900       1.718600      3.6899999E-02
 H    2.349800     -5.4200001E-02   1.762000    
 H    2.922700      -1.702800       1.471200    
 H  -0.9882000      -1.700200      -1.135400    
 H   -3.519400     -0.1364000      0.8317000    
 H    5.559500      0.3602000      8.8999998E-03
 H    5.201500     -0.8730000       1.208600    
 H    4.671100      0.8007000       1.483400    
 H   -3.014500     -0.6965000      -2.162400    
 H   -4.011200      -1.256900     -0.8028000    
 H   -3.183100      -2.411900      -1.822300    
 H   -2.870300      -2.302100       1.194800    
 H   -1.896000      -3.431800      0.2625000    
 H   -1.138200      -2.320100       1.404900    
 H   -4.287600       1.942100      2.4200000E-02
 H   -2.696900       2.605500     -0.2523000    
 H   -3.327800       1.357600      -1.333600    
 H   -1.944200      0.3811000       2.644300    
 H   -3.244200       1.572900       2.492600    
 H   -1.617000       1.965800       1.937600    


%chk=000116047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116047

0 1
O -0.358433 1.854092 -0.504346
N 0.734747 -0.200459 -0.797234
N -1.515871 -0.122517 0.038197
N 3.489312 -0.170498 0.123408
C 1.797432 0.484570 -1.570653
C 1.271613 -1.299912 0.041287
C 2.943962 0.968292 -0.661146
C 2.425228 -0.798129 0.939595
C -0.385593 0.579487 -0.413741
C -1.857314 -1.489650 -0.471425
C -2.582559 0.641485 0.766778
C 4.660185 0.216967 0.933661
C -3.025037 -1.454603 -1.491163
C -2.158723 -2.493422 0.668369
C -3.323261 1.688541 -0.105888
C -2.015589 1.285010 2.053899
H 1.348050 1.343461 -2.092775
H 2.199511 -0.234992 -2.310013
H 1.655248 -2.104124 -0.617288
H 0.474282 -1.711097 0.677783
H 3.756778 1.387029 -1.284042
H 2.557788 1.782897 0.000446
H 2.008583 -0.083817 1.698820
H 2.857369 -1.657885 1.487167
H -0.964716 -1.835031 -1.019542
H -3.319538 -0.125148 1.074570
H 5.447666 0.624658 0.274708
H 5.069407 -0.671983 1.447192
H 4.425540 0.988996 1.709919
H -2.800925 -0.763105 -2.322115
H -3.971408 -1.137236 -1.017309
H -3.183271 -2.464938 -1.912422
H -3.095233 -2.239503 1.198374
H -2.280287 -3.510282 0.252295
H -1.344920 -2.518565 1.414557
H -4.162797 2.122856 0.469769
H -2.628955 2.490869 -0.398927
H -3.735219 1.232372 -1.022466
H -1.539927 0.523389 2.698161
H -2.829742 1.766842 2.625696
H -1.268085 2.054180 1.798347


