%chk=000129976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129976

0 1
 O    5.327400      8.7600000E-02 -2.9400000E-02
 O   -3.472700     -0.8609000      0.6496000    
 O   -7.149300      0.1216000      0.7929000    
 O   -1.090100      0.9834000      -1.362500    
 O    1.300000      0.1745000       1.256400    
 O    3.819400      -1.090700       1.240700    
 N   -3.581300       1.222100     -0.3715000    
 N   -4.506600     -0.9867000      -2.316600    
 N  -0.1558000       2.259200      0.3407000    
 N    3.229500      0.8820000      0.1533000    
 N   -7.809400      -2.065300       1.046300    
 C   -5.128500     -0.5005000      -1.083300    
 C   -5.994500      -1.604900     -0.4679000    
 C   -3.972400     -9.4599999E-02 -0.1717000    
 C    7.627400     -0.4883000     -0.4227000    
 C    8.742000      -1.496600     -0.1588000    
 C   -2.520700       1.856600      0.3776000    
 C    6.332200     -0.8880000      0.2698000    
 C   -7.026000      -1.066100      0.5090000    
 C   -1.202000       1.649700     -0.3365000    
 C    10.02110      -1.116600     -0.8872000    
 C    1.221300       2.180400     -9.1200002E-02
 C    1.890500      0.9765000      0.5378000    
 C    4.098600     -0.1343000      0.5253000    
 H   -5.741900      0.3760000      -1.322200    
 H   -6.561800      -2.116600      -1.257400    
 H   -5.390200      -2.365100      4.1400000E-02
 H    7.929200      0.5104000     -8.3099999E-02
 H    7.446500     -0.3956000      -1.501000    
 H    8.943000      -1.556200      0.9171000    
 H    8.427100      -2.494500     -0.4858000    
 H   -2.743400       2.925800      0.4400000    
 H   -2.465600       1.428000       1.383100    
 H   -4.038900       1.771400      -1.093100    
 H    5.999800      -1.869100     -8.9000002E-02
 H    6.482800     -0.9310000       1.354800    
 H   -5.230300      -1.270500      -2.976100    
 H   -3.999100     -0.2253000      -2.766400    
 H    10.38100     -0.1354000     -0.5616000    
 H    10.80620      -1.851400     -0.6829000    
 H    9.861200      -1.082400      -1.969600    
 H    1.728700       3.094400      0.2313000    
 H    1.265100       2.096400      -1.181700    
 H  -0.3521000       2.768300       1.197800    
 H    3.609200       1.606900     -0.4501000    
 H   -8.541100      -1.851400       1.715900    
 H   -7.689500      -3.042200      0.7977000    


%chk=000129976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129976

0 1
O 5.841197 -0.074678 0.114426
O -5.265088 -0.148574 1.200894
O -9.538231 -0.305552 -0.576202
O -1.238012 0.389254 -1.595408
O 2.005631 -0.030951 2.062791
O 4.948735 -0.143028 2.293185
N -3.670414 0.298242 -0.421986
N -5.336537 0.197547 -2.464509
N -0.082057 0.179078 0.402606
N 3.601990 0.041719 0.327404
N -8.037915 -0.058131 1.195060
C -6.012109 0.237904 -1.146664
C -7.169319 -0.809510 -0.985959
C -4.953614 0.107544 -0.016888
C 8.185508 -0.307743 -0.503822
C 9.653878 -0.416538 -0.025552
C -2.539073 0.222126 0.490664
C 7.224376 -0.178362 0.676396
C -8.358554 -0.368009 -0.105744
C -1.239665 0.270078 -0.329548
C 10.643692 -0.564478 -1.200519
C 1.223642 0.212307 -0.244139
C 2.300697 0.061476 0.845636
C 4.809239 -0.067715 1.061322
H -6.448701 1.250896 -1.040416
H -7.599175 -0.996811 -1.983729
H -6.757318 -1.761505 -0.599037
H 8.073008 0.569780 -1.169198
H 7.918148 -1.202573 -1.098008
H 9.916633 0.481241 0.569610
H 9.757161 -1.285158 0.655818
H -2.559526 1.058636 1.218710
H -2.591946 -0.708526 1.089465
H -3.513948 0.471555 -1.430320
H 7.260847 -1.056263 1.347254
H 7.419221 0.728540 1.278250
H -5.781443 0.780584 -3.178739
H -5.160039 -0.752724 -2.810430
H 10.585881 0.304603 -1.882281
H 11.684898 -0.641148 -0.839045
H 10.423690 -1.472053 -1.793064
H 1.366522 1.163593 -0.796035
H 1.310230 -0.600142 -0.993588
H -0.069351 0.083759 1.426014
H 3.725778 0.106050 -0.687470
H -8.785356 0.235590 1.823210
H -7.047211 -0.110926 1.498787


