%chk=000074838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074838

0 1
 O    1.253100      -1.068700     -0.5509000    
 O   -1.043700     -0.5856000     -0.7669000    
 N  -0.3654000      -2.577600      0.4308000    
 C    1.903200      0.1628000     -0.2558000    
 C   -2.097200      2.5800001E-02 -2.9999999E-02
 C    2.723000      1.5699999E-02   1.025500    
 C    2.777000      0.5779000      -1.438400    
 C   -1.735000       1.479300      0.2723000    
 C   -3.401600     -7.6800004E-02 -0.8189000    
 C    3.517500       1.281100       1.331900    
 C    3.571400       1.843500      -1.132300    
 C   -2.875300       2.206900      0.9769000    
 C   -4.542200      0.6508000     -0.1144000    
 C    4.388900       1.697500      0.1491000    
 C   -4.179600       2.102500      0.1899000    
 C  -3.8199998E-02  -1.177400      7.8199998E-02
 C  -0.4414000      -3.439200     -0.7488000    
 C   0.5855000      -3.118500       1.401700    
 H    1.158000      0.9563000     -0.1202000    
 H   -2.251700     -0.5117000      0.9163000    
 H    3.405300     -0.8389000      0.9285000    
 H    2.072700     -0.2215000       1.874900    
 H    2.151100      0.7311000      -2.325800    
 H    3.461900     -0.2405000      -1.695700    
 H   -1.477800       1.997700     -0.6605000    
 H  -0.8383000       1.530300      0.8991000    
 H   -3.662300      -1.131500     -0.9684000    
 H   -3.257700      0.3390000      -1.824700    
 H    4.147000       1.117300       2.213700    
 H    2.825200       2.095200       1.579400    
 H    2.882500       2.691100      -1.030700    
 H    4.238200       2.072600      -1.971000    
 H   -2.611300       3.261500       1.114400    
 H   -3.017900       1.779700       1.977200    
 H   -4.783600      0.1314000      0.8212000    
 H   -5.442000      0.6185000     -0.7389000    
 H    4.890300       2.645000      0.3763000    
 H    5.175400      0.9483000     -4.6000001E-03
 H   -4.990600       2.574000      0.7563000    
 H   -4.081900       2.657900     -0.7511000    
 H  -8.2000000E-03 -0.6211000       1.024000    
 H   -1.199300      -3.076200      -1.451200    
 H  -0.7465000      -4.452000     -0.4625000    
 H   0.5158000      -3.508500      -1.277800    
 H   0.2797000      -4.122100       1.717800    
 H   0.6080000      -2.501200       2.306600    
 H    1.603300      -3.182600       1.000900    


%chk=000074838-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074838

0 1
O 1.412971 -1.137033 -0.359947
O -0.781766 -0.341060 -0.515306
N -0.374235 -2.553886 0.336086
C 2.041027 0.208366 -0.445823
C -2.060536 -0.000013 0.160495
C 2.538146 0.697370 0.933133
C 3.204738 0.064273 -1.439395
C -1.880551 1.214487 1.098421
C -3.080172 0.298092 -0.950030
C 3.314256 2.032249 0.797052
C 3.985514 1.394175 -1.579767
C -3.237873 1.652043 1.704812
C -4.439654 0.741755 -0.354553
C 4.485878 1.902110 -0.205793
C -4.273168 1.953058 0.595341
C 0.102174 -1.193320 0.285887
C -0.496905 -3.237966 -0.968065
C 0.211671 -3.384999 1.402831
H 1.288094 0.917759 -0.845602
H -2.391376 -0.887028 0.743103
H 3.199656 -0.082004 1.362280
H 1.687239 0.830928 1.629591
H 2.807347 -0.267204 -2.416313
H 3.881748 -0.733551 -1.073219
H -1.449222 2.046478 0.505980
H -1.159605 0.978030 1.905932
H -3.201410 -0.599357 -1.584517
H -2.670883 1.101098 -1.595300
H 3.687589 2.352334 1.789076
H 2.621077 2.825077 0.445930
H 3.326207 2.163011 -2.033728
H 4.837685 1.256670 -2.272822
H -3.093045 2.540263 2.349542
H -3.627698 0.843591 2.358071
H -4.887318 -0.102891 0.209575
H -5.144208 0.987270 -1.172216
H 5.001078 2.875632 -0.320447
H 5.232144 1.186585 0.197485
H -5.248382 2.222805 1.045174
H -3.934198 2.832265 0.009148
H 0.167594 -0.808529 1.328893
H -0.888028 -2.520723 -1.706999
H -1.208012 -4.079401 -0.872508
H 0.474581 -3.630172 -1.339308
H -0.404608 -4.292342 1.541201
H 0.213289 -2.825167 2.356210
H 1.256448 -3.702029 1.183806


