%chk=000119544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119544

0 1
 O   0.2746000       2.823700      5.0900001E-02
 O    4.396700     -0.5250000       2.204500    
 N   -3.900200      0.5539000      0.7292000    
 N   -5.311200      -1.359000      0.8996000    
 C    1.772300      0.3977000     -0.6715000    
 C   0.3797000      0.3718000      5.8200002E-02
 C  -0.6026000     -0.6594000     -0.5700000    
 C    2.348800      -1.059500     -0.8192000    
 C   -1.916200     -0.6036000      0.2031000    
 C   8.8000000E-03  -2.060300     -0.5358000    
 C   -2.579000      0.7720000      9.2100002E-02
 C    1.319900      -2.091900      -1.305700    
 C    2.766600       1.280100      0.1570000    
 C    3.028600      -1.509900      0.4828000    
 C  -0.3016000       1.755300      0.2551000    
 C   -1.709100       1.764300      0.8501000    
 C    1.646300      0.9955000      -2.094700    
 C   -3.066500      -1.517400     -0.1453000    
 C    4.196800      0.7435000      0.1686000    
 C    4.262000     -0.6526000      0.7903000    
 C   -2.853000       1.296300      -1.335200    
 C   -4.161700     -0.7155000      0.5358000    
 H   0.5706000      3.9000001E-02   1.090600    
 H  -0.7950000     -0.4030000      -1.617700    
 H    3.135500      -1.049400      -1.588400    
 H   -1.682300     -0.8023000       1.263600    
 H  -0.6812000      -2.784200     -0.9852000    
 H   0.1732000      -2.382700      0.4995000    
 H    1.746600      -3.101200      -1.255300    
 H    1.107900      -1.911300      -2.367200    
 H    2.428900       1.360700       1.198100    
 H    2.784500       2.305500     -0.2321000    
 H    2.319900      -1.487600       1.319300    
 H    3.350200      -2.556200      0.4032000    
 H   -1.632100       1.512400       1.914100    
 H   -2.122800       2.777200      0.7857000    
 H   0.9800000      0.4091000      -2.733700    
 H    1.264800       2.020400      -2.081700    
 H    2.623900       1.027600      -2.589900    
 H   -2.966700      -2.513300      0.2937000    
 H   -3.264100      -1.596600      -1.217400    
 H    4.573700      0.7103000     -0.8607000    
 H    4.838700       1.437200      0.7244000    
 H    5.166600      -1.156500      0.4324000    
 H   -3.426500       2.230300      -1.291800    
 H   -1.934400       1.505800      -1.891500    
 H   -3.446200      0.5927000      -1.928300    
 H    3.612600     -6.1000001E-02   2.543500    
 H   -5.449400      -2.348100      0.7214000    
 H   -6.065800     -0.8622000       1.360500    


%chk=000119544-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119544

0 1
O 0.244958 2.825700 -0.105841
O 4.665999 -0.575191 2.221154
N -3.960732 0.543973 0.755624
N -5.455192 -1.302428 0.896053
C 1.772074 0.404582 -0.697919
C 0.362740 0.352433 -0.004435
C -0.630638 -0.700781 -0.631178
C 2.371096 -1.056015 -0.795129
C -1.943819 -0.635084 0.158508
C 0.019983 -2.100412 -0.587117
C -2.615889 0.775860 0.115031
C 1.367371 -2.105308 -1.334693
C 2.743212 1.281642 0.181864
C 3.028564 -1.464649 0.549441
C -0.305415 1.738643 0.219840
C -1.694222 1.751192 0.880696
C 1.688666 1.004614 -2.128642
C -3.144021 -1.569463 -0.127979
C 4.199354 0.772012 0.149559
C 4.323320 -0.640364 0.780848
C -2.866655 1.321441 -1.316701
C -4.247791 -0.730693 0.548157
H 0.529379 -0.023382 1.035603
H -0.821454 -0.437411 -1.691730
H 3.192125 -1.004472 -1.542007
H -1.690779 -0.808666 1.229176
H -0.664728 -2.844407 -1.040007
H 0.163851 -2.403168 0.471785
H 1.832139 -3.109702 -1.280716
H 1.173195 -1.909988 -2.408882
H 2.388670 1.284530 1.235684
H 2.681372 2.331809 -0.147941
H 2.331681 -1.285456 1.394202
H 3.262847 -2.545233 0.565807
H -1.615113 1.419054 1.935055
H -2.076966 2.785910 0.870231
H 1.101356 0.367998 -2.815920
H 1.237091 2.009540 -2.108821
H 2.705329 1.097093 -2.556777
H -3.040982 -2.578100 0.310107
H -3.350379 -1.686982 -1.210367
H 4.564079 0.748514 -0.896073
H 4.872678 1.457443 0.697530
H 5.193917 -1.168890 0.355106
H -3.510533 2.215132 -1.242253
H -1.935480 1.619050 -1.832359
H -3.394365 0.580756 -1.944323
H 3.948608 -0.072466 2.686731
H -5.614439 -2.300078 0.796640
H -6.174961 -0.717534 1.316376


