%chk=000084787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084787

0 1
 O  -6.3400000E-02  0.6458000       1.789900    
 O  -0.3672000      -2.082200      -1.903400    
 N    1.403000     -0.9071000     -0.9466000    
 N  -0.6038000     -0.7571000      7.7999998E-03
 N   -2.740300      0.3117000      0.1562000    
 C    1.643700     -3.0400001E-02  0.1823000    
 C    2.628300     -0.6508000       1.178100    
 C    2.075700       1.367400     -0.2715000    
 C    4.067100     -0.6149000      0.6635000    
 C    3.518500       1.388900     -0.7755000    
 C    4.482000      0.7933000      0.2470000    
 C   0.2337000      1.5500000E-02  0.7824000    
 C   7.9000004E-02  -1.334300      -1.043100    
 C   -2.015700     -0.9562000      0.2689000    
 C   -4.177500      0.1339000      0.3828000    
 C   -2.518100      0.8991000      -1.167200    
 C   -4.453900     -0.4725000       1.743100    
 C   -3.191200       2.250000      -1.294600    
 H    2.350200      -1.687800       1.405700    
 H    2.582500     -0.1052000       2.130000    
 H    1.986300       2.070800      0.5669000    
 H    1.410500       1.743600      -1.059300    
 H    4.171400      -1.294800     -0.1907000    
 H    4.744000     -0.9814000       1.443700    
 H    3.812600       2.420600     -0.9995000    
 H    3.590200      0.8285000      -1.715500    
 H    4.518100       1.439400       1.132900    
 H    5.494500      0.7697000     -0.1719000    
 H    2.123000      -1.188900      -1.604600    
 H   -2.064200      -1.336900       1.294200    
 H   -2.414500      -1.718700     -0.4105000    
 H   -4.691200       1.100700      0.3817000    
 H   -4.637500     -0.4879000     -0.3956000    
 H   -1.452500       1.084600      -1.340400    
 H   -2.865200      0.2361000      -1.970200    
 H   -5.525100     -0.4084000       1.965000    
 H   -3.923300      6.0400002E-02   2.539700    
 H   -4.187600      -1.533000       1.789200    
 H   -2.818200       2.762900      -2.188600    
 H   -2.974200       2.895400     -0.4365000    
 H   -4.276000       2.170100      -1.414800    


%chk=000084787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084787

0 1
O -0.170635 -0.911733 2.015036
O -0.494731 -0.699041 -2.681036
N 1.257311 -0.153807 -1.162165
N -0.694859 -0.886879 -0.300437
N -3.182001 -0.452719 -0.336631
C 1.495664 -0.172927 0.298559
C 2.637036 -1.150311 0.703389
C 1.765739 1.247608 0.877540
C 4.030790 -0.611446 0.305567
C 3.159466 1.780900 0.474387
C 4.281409 0.799644 0.888115
C 0.130132 -0.700024 0.810233
C -0.010577 -0.583070 -1.525794
C -2.121276 -1.409928 -0.265595
C -3.718896 0.146858 0.896237
C -3.659227 0.034793 -1.644088
C -2.882883 1.283238 1.543649
C -3.207206 1.460658 -2.048133
H 2.452319 -2.137812 0.240283
H 2.581474 -1.284885 1.800929
H 1.692565 1.173842 1.979920
H 0.968678 1.935781 0.538396
H 4.121626 -0.576990 -0.800670
H 4.807950 -1.316124 0.657329
H 3.322077 2.770138 0.942584
H 3.196573 1.946168 -0.622862
H 4.318075 0.735015 1.994763
H 5.265346 1.181160 0.555085
H 1.947066 0.113960 -1.860669
H -2.174446 -1.970324 0.686323
H -2.177289 -2.108091 -1.120337
H -4.730688 0.530917 0.657495
H -3.854660 -0.655586 1.651559
H -3.300540 -0.672758 -2.413853
H -4.770103 -0.001145 -1.651428
H -3.416829 1.687388 2.425469
H -2.711746 2.112269 0.834537
H -1.907464 0.901519 1.890116
H -3.619212 1.717284 -3.042752
H -2.107108 1.517689 -2.112034
H -3.565220 2.218672 -1.328015


