%chk=000176133.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176133

0 1
 O    1.842800       3.593300      0.6500000    
 O   3.5599999E-02   2.449400       1.144400    
 O    5.784800     -0.7767000      -1.281100    
 O    5.766400       1.401000      -1.005300    
 O   -3.666900     -0.3134000       2.930200    
 O   -1.471900     -0.2868000       2.952200    
 O   -5.012900      0.4331000      -3.072000    
 O   -6.089600      0.1742000      -1.176600    
 N  -0.1077000     -4.3000001E-03  0.8915000    
 N    1.218500       2.510200      0.7356000    
 N    5.201900      0.2821000     -0.9444000    
 N   -2.564300     -0.2237000       2.341000    
 N   -5.021600      0.2734000      -1.827500    
 C    1.229600      -2.425500      0.1221000    
 C    1.916300      -1.051600      4.8799999E-02
 C    2.284900      -3.519900      0.3918000    
 C   0.5198000      -2.723500      -1.216400    
 C   0.1648000      -2.533500       1.237000    
 C    1.228300      7.3600002E-02  0.4303000    
 C    3.213600      -1.021000     -0.4044000    
 C    1.876200       1.306700      0.3545000    
 C    3.861600      0.2119000     -0.4803000    
 C    3.192900       1.375800     -0.1008000    
 C   -1.345200      6.2399998E-02  0.2299000    
 C   -2.552400     -4.4599999E-02  0.9295000    
 C   -1.368700      0.2401000      -1.157600    
 C   -3.768200      2.5200000E-02  0.2493000    
 C   -2.584400      0.3098000      -1.837600    
 C   -3.784300      0.2023000      -1.134200    
 H    1.803400      -4.481600      0.6107000    
 H    2.924000      -3.725700     -0.4737000    
 H    2.916800      -3.277900       1.254700    
 H    1.217400      -2.651400      -2.059200    
 H   0.1128000      -3.741900      -1.217900    
 H  -0.3095000      -2.052700      -1.426400    
 H   3.6400001E-02  -3.589800       1.515900    
 H   0.4674000      -2.044000       2.168800    
 H  -0.8442000      -2.266500      0.9286000    
 H    3.737400      -1.906300     -0.7387000    
 H  -0.1543000      0.2074000       1.883000    
 H    3.702200       2.334800     -0.1617000    
 H  -0.4519000      0.3401000      -1.733000    
 H   -4.706100     -5.7900000E-02  0.7936000    
 H   -2.558600      0.4511000      -2.915100    


%chk=000176133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176133

0 1
O 0.726651 3.254789 -0.658305
O -0.149040 2.310711 1.225560
O 5.874822 -0.469070 -0.989624
O 5.393823 1.745447 -1.273596
O -4.073899 -0.429118 2.568798
O -1.932126 -1.191083 2.539345
O -4.876387 2.053926 -3.136668
O -6.136293 1.503508 -1.310708
N -0.338156 -0.462910 0.612558
N 0.613671 2.288577 0.188242
N 5.068661 0.538281 -0.957853
N -2.940374 -0.556193 1.982299
N -5.015848 1.566781 -1.947820
C 1.569054 -2.804600 0.498117
C 1.950049 -1.328401 0.188126
C 2.769064 -3.762419 0.249298
C 0.409441 -3.286354 -0.428678
C 1.178311 -2.963758 2.003247
C 1.011982 -0.235238 0.251689
C 3.276164 -1.019911 -0.193528
C 1.472806 1.089896 -0.036000
C 3.668354 0.290027 -0.529787
C 2.779598 1.370765 -0.460477
C -1.465821 0.049035 -0.005433
C -2.757698 0.005152 0.639374
C -1.419251 0.593358 -1.329749
C -3.914348 0.509682 0.008847
C -2.561394 1.084679 -1.960171
C -3.805704 1.045204 -1.278571
H 2.440504 -4.796735 0.452095
H 3.123094 -3.728399 -0.797247
H 3.622040 -3.553319 0.920588
H 0.706915 -3.225789 -1.491550
H 0.180614 -4.343103 -0.201091
H -0.518060 -2.708794 -0.296220
H 1.066478 -4.039079 2.232231
H 1.967486 -2.558722 2.661852
H 0.221539 -2.490477 2.278041
H 4.033684 -1.800425 -0.266540
H -0.556449 -0.970443 1.492784
H 3.096380 2.389354 -0.696941
H -0.467923 0.599368 -1.868287
H -4.877922 0.479401 0.524076
H -2.521389 1.494096 -2.972824


