%chk=000060329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060329

2 1
 O   -1.489900     -0.9638000     -1.4000000E-02
 O    1.280900     -0.8814000     -0.3956000    
 N   -4.898500      0.4560000     -0.1916000    
 N    4.723100      0.3457000      0.3603000    
 C   -3.499600      0.3131000      0.2847000    
 C    3.289000      0.4095000     -0.1451000    
 C   -5.631700       1.552700      0.5926000    
 C   -5.671600     -0.8576000     -1.2000000E-02
 C    5.584900     -0.3956000     -0.6516000    
 C    5.259200       1.758000      0.5453000    
 C   -4.931600      0.8299000      -1.679700    
 C    4.759400     -0.3892000       1.692600    
 C   -2.818200     -0.7976000     -0.4899000    
 C    2.609900     -0.9223000      0.1069000    
 C   -4.933500       2.876300      0.3694000    
 C   -5.654600      -1.249900       1.449200    
 C    7.008900     -0.4560000     -0.1440000    
 C    5.220800       2.483400     -0.7821000    
 C  -0.8109000      -1.998900     -0.7146000    
 C   0.6040000      -2.112400     -0.1806000    
 H   -3.462600      0.1655000       1.368700    
 H   -2.947500       1.237600      8.3099999E-02
 H    3.283700      0.6426000      -1.215500    
 H    2.760900       1.207700      0.3906000    
 H   -6.672800       1.584300      0.2536000    
 H   -5.593300       1.321700       1.659600    
 H   -6.702000     -0.6695000     -0.3385000    
 H   -5.268000      -1.632200     -0.6689000    
 H    5.199800      -1.416200     -0.7449000    
 H    5.504900      7.1500003E-02  -1.636700    
 H    6.259800       1.732800      0.9848000    
 H    4.602800       2.258400       1.268000    
 H   -5.927200       1.215700      -1.921200    
 H   -4.751600     -6.8099998E-02  -2.278500    
 H   -4.158900       1.574400      -1.890400    
 H    5.707300     -0.1723000       2.195000    
 H    4.671100      -1.468600       1.538100    
 H    3.960300      2.7999999E-03   2.330900    
 H   -2.763200     -0.5703000      -1.559100    
 H   -3.311800      -1.762200     -0.3562000    
 H    2.522100      -1.145200       1.173900    
 H    3.135200      -1.745300     -0.3873000    
 H   -3.922800       2.910800      0.7837000    
 H   -4.906300       3.192800     -0.6759000    
 H   -5.494800       3.654700      0.9010000    
 H   -6.208800      -2.191700       1.550200    
 H   -6.167300     -0.5476000       2.109300    
 H   -4.657300      -1.459400       1.842200    
 H    7.506400      0.5164000     -0.1176000    
 H    7.119500     -0.9473000      0.8252000    
 H    7.595100      -1.060600     -0.8475000    
 H    5.929200       2.090500      -1.515300    
 H    4.227800       2.542900      -1.233100    
 H    5.528200       3.522500     -0.6104000    
 H  -0.7824000      -1.748600      -1.781500    
 H   -1.336900      -2.950100     -0.5783000    
 H   0.5743000      -2.322200      0.8949000    
 H    1.131700      -2.923400     -0.6944000    


%chk=000060329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060329

2 1
O -1.629309 -0.823128 -0.140218
O 1.458742 -0.767339 -0.328556
N -5.179544 0.489314 -0.174333
N 4.988058 0.403576 0.407735
C -3.709786 0.216872 0.191392
C 3.532814 0.314524 -0.097166
C -5.818206 1.384237 0.933706
C -6.009235 -0.827855 -0.281896
C 5.833751 -0.735286 -0.232665
C 5.556011 1.808155 0.032811
C -5.273501 1.201317 -1.523206
C 5.021272 0.294056 1.931326
C -2.942145 -0.704683 -0.773527
C 2.735079 -0.917947 0.369205
C -5.248921 2.802275 1.050661
C -5.998251 -1.722209 0.960859
C 7.332495 -0.692317 0.081540
C 5.619431 2.115573 -1.465838
C -0.720389 -1.712762 -0.892549
C 0.554177 -1.910224 -0.087045
H -3.692357 -0.223721 1.200881
H -3.199165 1.191650 0.233137
H 3.562339 0.317004 -1.197696
H 3.014527 1.228338 0.240327
H -6.896555 1.416432 0.698414
H -5.686093 0.834961 1.879590
H -7.036305 -0.503755 -0.525106
H -5.613818 -1.369825 -1.157181
H 5.391942 -1.677826 0.131323
H 5.655842 -0.671986 -1.318915
H 6.559935 1.857071 0.484592
H 4.911399 2.533326 0.560372
H -6.307829 1.547303 -1.672990
H -5.005075 0.499346 -2.326174
H -4.588597 2.060578 -1.538631
H 6.029423 0.543064 2.291485
H 4.768469 -0.731154 2.238591
H 4.295608 1.004972 2.355872
H -2.849371 -0.262217 -1.788083
H -3.416498 -1.705799 -0.864376
H 2.576080 -0.923807 1.467748
H 3.226124 -1.870879 0.074891
H -4.182012 2.824577 1.328148
H -5.402875 3.408549 0.143353
H -5.796997 3.308075 1.865405
H -6.625353 -2.603987 0.739324
H -6.436238 -1.240760 1.850090
H -4.993550 -2.100899 1.213129
H 7.837249 0.195438 -0.333599
H 7.554617 -0.763302 1.159459
H 7.797543 -1.573473 -0.394926
H 6.279240 1.427410 -2.020145
H 4.629868 2.137223 -1.951196
H 6.050334 3.126312 -1.578227
H -0.482660 -1.274642 -1.883272
H -1.211927 -2.697503 -1.042343
H 0.311144 -1.991450 0.992256
H 1.053647 -2.846090 -0.415964


