%chk=000124029.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124029

0 1
 O    1.522400      0.3629000     -0.7838000    
 O    3.490800     -0.9353000       1.922100    
 O    3.632800       2.164900      -1.250200    
 O   -1.398100      -2.453600      -1.008800    
 O   -2.505700       2.480400      0.9132000    
 N  -0.6197000     -0.4204000     -0.2459000    
 N   -2.969800     -0.9386000     -0.3900000    
 N   -4.594600      0.5770000      0.2315000    
 C    2.822300     -0.9579000      0.6785000    
 C    1.378000      -1.369200      0.8360000    
 C   0.7529000     -0.7951000     -0.4222000    
 C    2.673200      0.4294000      7.4900001E-02
 C    3.883300      0.8718000     -0.7284000    
 C  -0.9427000      0.8347000      0.2441000    
 C   -1.654900      -1.330500     -0.5713000    
 C   -2.203700       1.231400      0.4266000    
 C   -3.266400      0.2480000      7.3500000E-02
 H    3.337800      -1.647200     -8.9999998E-04
 H    1.245500      -2.452600      0.9191000    
 H   0.9531000     -0.9308000       1.748400    
 H   0.8458000      -1.509800      -1.248500    
 H    2.458600       1.178700      0.8478000    
 H    4.071600      0.2020000      -1.573800    
 H    4.781500      0.9171000     -0.1061000    
 H    4.386500     -0.5904000       1.767700    
 H  -0.1208000       1.494900      0.4964000    
 H    2.829600       2.111100      -1.795900    
 H   -1.673900       2.957400       1.076500    
 H   -4.881800       1.482800      0.5873000    
 H   -5.327400     -8.3200000E-02 -4.6000001E-03


%chk=000124029-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124029

0 1
O 1.566197 0.790204 -0.386977
O 3.254917 -0.508619 2.354371
O 3.743692 1.555153 -2.038965
O -1.053878 -1.960076 -1.712620
O -2.981096 2.095344 1.497491
N -0.598487 -0.205555 -0.217807
N -2.872661 -0.719452 -0.877912
N -4.637541 0.534057 0.016114
C 2.915806 -0.766434 0.948252
C 1.440602 -1.215340 0.913308
C 0.832231 -0.503883 -0.314400
C 2.963265 0.516561 0.058238
C 3.840601 0.367278 -1.195378
C -1.039080 0.817912 0.612055
C -1.523554 -1.027413 -0.998389
C -2.384754 1.083548 0.716319
C -3.296480 0.269222 -0.070674
H 3.588439 -1.544741 0.529741
H 1.317766 -2.307594 0.855298
H 0.961134 -0.851734 1.839316
H 0.954388 -1.091905 -1.241723
H 3.270427 1.401254 0.643386
H 3.550131 -0.548336 -1.757360
H 4.906004 0.283577 -0.915589
H 4.230829 -0.363352 2.441796
H -0.260763 1.400029 1.114964
H 2.775305 1.742042 -2.160426
H -2.307149 2.631187 1.983271
H -4.970958 1.283792 0.618613
H -5.279132 -0.026827 -0.541112


