%chk=000127071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127071

0 1
 O    1.315600      0.7561000       1.718700    
 O    1.929800       1.271500     -0.5428000    
 O  -8.5600004E-02  0.8460000      -2.529100    
 O    3.130300     -0.8887000      0.6227000    
 O  -0.3571000       2.883000     -0.7704000    
 O    1.761600       2.948500       1.069500    
 O   -1.154900      -2.597900      5.7100002E-02
 O    2.558500      -2.698500      -1.319600    
 N   -2.210100      0.6134000     -0.5421000    
 N   -2.987100      -1.204100      0.8110000    
 N   -4.452800      0.2595000     -0.2587000    
 C  -0.8056000      0.5249000     -0.1950000    
 C  -0.6594000     -0.3947000       1.049200    
 C   0.8478000     -0.5750000       1.344800    
 C    1.523300     -4.3400001E-02 -0.9832000    
 C   3.2299999E-02 -1.6000000E-03  -1.386300    
 C    1.764200      -1.017400      0.1806000    
 C  -0.2641000       1.900100      0.2562000    
 C    1.216500       1.699800      0.6298000    
 C   -1.582800      -1.626900      0.9914000    
 C    1.663900      -2.479900     -0.2443000    
 C   -3.184500     -0.1746000      4.0399998E-02
 H   -1.057900      0.1769000       1.906200    
 H   0.9971000      -1.209700       2.224900    
 H    2.156400     -0.2650000      -1.848600    
 H  -0.3074000     -0.9900000      -1.708400    
 H  -0.8263000       2.284100       1.117400    
 H   -1.527800      -2.112600       1.972900    
 H   -2.487200       1.325700      -1.210600    
 H   0.7144000      -2.762900     -0.6601000    
 H    1.929800      -3.158400      0.5726000    
 H   -1.027300      0.8801000      -2.768100    
 H    3.236300      -1.425400       1.426900    
 H   -1.299800       3.006100     -0.9722000    
 H    1.072000       3.630600       1.015300    
 H   -1.861000      -3.263600      1.9999999E-04
 H    2.504800      -3.640500      -1.555100    
 H   -4.611200       1.065800     -0.8530000    
 H   -5.269700     -0.2177000      0.1068000    


%chk=000127071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127071

0 1
O 1.220225 0.806303 1.818032
O 1.876924 1.386956 -0.428267
O -0.253259 0.910905 -2.452321
O 3.148898 -0.827807 0.718107
O -0.694143 2.902629 -0.728172
O 1.515628 3.031049 1.190100
O -1.286097 -2.591626 -0.122460
O 2.008834 -2.509277 -1.640687
N -2.318844 0.542877 -0.512243
N -3.063063 -1.303418 0.867001
N -4.604282 0.049839 -0.253648
C -0.905817 0.482543 -0.132760
C -0.722451 -0.462751 1.086210
C 0.791819 -0.584818 1.399393
C 1.482700 0.022477 -0.902881
C -0.004266 -0.004942 -1.314061
C 1.767252 -0.987835 0.245333
C -0.442668 1.915561 0.303224
C 1.045929 1.804810 0.718308
C -1.663295 -1.695327 1.015473
C 1.682660 -2.456235 -0.195988
C -3.288952 -0.264391 0.060415
H -1.121430 0.080535 1.968053
H 0.971645 -1.201600 2.295520
H 2.143261 -0.184251 -1.756746
H -0.287259 -1.036335 -1.586951
H -1.023397 2.247167 1.179791
H -1.572890 -2.282345 1.950333
H -2.556935 1.288842 -1.169161
H 0.672802 -2.866321 -0.030927
H 2.440308 -3.005778 0.394494
H 0.249788 0.593347 -3.242051
H 3.265462 0.125382 0.970870
H -0.283416 2.558055 -1.575102
H 2.482011 2.957106 1.401710
H -2.123372 -3.074103 -0.351809
H 1.970049 -3.451464 -1.936382
H -4.866430 0.951265 -0.643614
H -5.318928 -0.543425 0.160863


