%chk=000176826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176826

0 1
 O    1.951100     -0.3517000      -1.636900    
 O    4.235900     -0.1230000       1.114500    
 O    2.945100       2.017000      9.6400000E-02
 N  -8.4600002E-02  8.3200000E-02 -0.4601000    
 N   -1.278800       2.178200     -0.4197000    
 N   -3.639500       1.919400      0.1170000    
 N   -4.639200     -0.1983000      0.5528000    
 N   -2.970300      -3.551600      0.5391000    
 C    1.247500      0.5924000     -0.8005000    
 C    2.131500      0.8861000      0.4091000    
 C    2.972800     -0.3665000      0.5317000    
 C    3.043900     -0.7947000     -0.8985000    
 C   -1.215700      0.8410000     -0.2946000    
 C  -0.3923000      -1.239700     -0.2567000    
 C   -2.265100     -1.3400000E-02  2.0700000E-02
 C   -1.735200      -1.328800      4.2399999E-02
 C    4.033100      -1.483400      -1.477200    
 C   -3.510800      0.5771000      0.2287000    
 C    4.115600      0.2806000       2.472100    
 C   -2.530600       2.627000     -0.1958000    
 C   -2.414300      -2.550900      0.3155000    
 H    1.089000       1.489500      -1.411500    
 H    1.570800       1.126200       1.317400    
 H    2.438200      -1.144600       1.092400    
 H   0.3613000      -2.012000     -0.3367000    
 H    3.454000       1.820300     -0.7083000    
 H    3.996100      -1.728800      -2.533200    
 H    4.894500      -1.819000     -0.9105000    
 H    3.668300       1.274400       2.558100    
 H    5.121500      0.3290000       2.899100    
 H    3.535200     -0.4480000       3.047100    
 H   -2.667300       3.700000     -0.2776000    
 H   -5.524700      0.2689000      0.6951000    
 H   -4.580300      -1.201900      0.6437000    


%chk=000176826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176826

0 1
O 2.072152 -0.595758 -1.681612
O 4.142119 0.243294 1.085559
O 3.001778 2.089094 -0.525839
N -0.058179 -0.035820 -0.753671
N -1.056044 2.043077 0.123397
N -3.381234 1.784564 0.861564
N -4.556905 -0.244059 0.761476
N -3.358577 -3.583943 -0.517809
C 1.260428 0.514220 -1.174321
C 2.053578 1.122930 0.006930
C 2.825525 -0.122670 0.562846
C 3.004395 -0.997673 -0.671863
C -1.105862 0.717555 -0.198928
C -0.495948 -1.345291 -0.951105
C -2.224037 -0.149119 -0.030966
C -1.825159 -1.460083 -0.509933
C 3.890933 -1.989701 -0.884590
C -3.397415 0.449508 0.530671
C 4.080622 0.801947 2.451074
C -2.234258 2.495198 0.643784
C -2.631309 -2.631080 -0.528657
H 1.126475 1.247345 -1.985010
H 1.385191 1.617264 0.730144
H 2.229862 -0.636989 1.345363
H 0.156362 -2.089470 -1.398566
H 3.914920 1.783527 -0.259684
H 3.934396 -2.524899 -1.836472
H 4.604159 -2.246423 -0.098689
H 3.504892 1.747328 2.477411
H 5.125207 0.995675 2.736530
H 3.629565 0.071130 3.150357
H -2.267717 3.552825 0.920673
H -5.345677 0.263711 1.158810
H -4.647541 -1.233215 0.536228


