%chk=000054586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054586

0 1
 O   -2.715500      -1.996400       2.267900    
 O   -6.531000      -1.259000     -0.9425000    
 O   -4.622600      -1.703500      -2.087500    
 O   -4.044900       3.873300     -0.7153000    
 O   -4.954000       3.258500       1.270300    
 N   -3.083300      -1.318100      8.0700003E-02
 N    2.689100      0.3358000     -0.9492000    
 N    4.800500       1.426400      0.4687000    
 N    3.678500       3.446600      0.6145000    
 N    1.505200       3.723200     -0.3608000    
 N   0.4914000       1.910800      -1.487200    
 N    2.543400       5.495400      0.7636000    
 C    3.232000      -2.829100     -0.1007000    
 C    3.821800      -1.823500      -1.138000    
 C    3.498300      -4.268900     -0.6330000    
 C    1.799400      -2.562500      0.2157000    
 C    3.781100     -0.3897000     -0.6620000    
 C    3.093700      -5.349300      0.3631000    
 C   0.8378000      -2.629500     -0.7924000    
 C    1.421000      -2.247200       1.520900    
 C  -0.8807000      -2.065800      0.8094000    
 C  -0.5023000      -2.381200     -0.4956000    
 C   8.1000000E-02  -1.998900       1.817600    
 C   -4.477900     -0.9906000      0.2368000    
 C   -4.699200      0.4595000      0.6837000    
 C   -2.307800      -1.800900       1.125800    
 C    4.824400      0.1500000      3.8899999E-02
 C   -4.212800       1.540500     -0.2901000    
 C    2.666900       1.611800     -0.5187000    
 C   -5.179800      -1.345300      -1.057900    
 C    3.724900       2.175400      0.1976000    
 C    1.589600       2.442100     -0.7623000    
 C   -4.442800       2.953100      0.2020000    
 C    2.574500       4.156900      0.3162000    
 H    3.824500      -2.721100      0.8194000    
 H    4.863400      -2.088600      -1.362600    
 H    3.285100      -1.889600      -2.093200    
 H    2.971300      -4.438400      -1.579600    
 H    4.569100      -4.381800     -0.8435000    
 H    1.109100      -2.881100      -1.813900    
 H    2.157800      -2.189500       2.317700    
 H    3.376700      -6.335300     -1.9300001E-02
 H    2.012900      -5.358100      0.5329000    
 H    3.595100      -5.203600       1.325100    
 H   -1.222300      -2.474300      -1.303100    
 H  -0.1933000      -1.750000       2.839300    
 H   -4.885800      -1.659100       1.005900    
 H   -5.770000      0.6171000      0.8682000    
 H   -4.201900      0.6127000       1.650700    
 H   -2.658100      -1.104000     -0.8154000    
 H    5.717000     -0.4114000      0.2870000    
 H   -4.736800       1.434200      -1.246400    
 H   -3.137200       1.424000     -0.4633000    
 H   -6.985200      -1.504500      -1.776600    
 H  -0.2875000       2.532200      -1.666400    
 H   0.6656000       1.153300      -2.136200    
 H   -4.208500       4.790200     -0.4077000    
 H    1.734700       6.067700      0.5636000    
 H    3.329700       5.865500       1.279500    


%chk=000054586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054586

0 1
O -2.521935 -1.619193 2.306106
O -6.145292 -0.551097 -0.881086
O -4.144172 -0.879395 -2.010327
O -2.204085 2.364358 -1.008434
O -2.605065 3.737374 0.795861
N -2.672142 -0.449185 0.299927
N 2.649373 0.064094 -1.415697
N 4.039906 1.528124 0.623089
N 2.152140 2.961417 0.875272
N 0.220116 2.627874 -0.581572
N 0.178016 1.014018 -2.290748
N 0.136203 4.141959 1.192504
C 3.522659 -2.847578 -0.160791
C 4.158935 -1.844054 -1.206603
C 3.676702 -4.302915 -0.687985
C 2.074658 -2.484254 0.187512
C 3.797980 -0.417427 -0.879668
C 3.316290 -5.375973 0.360203
C 1.042747 -2.504911 -0.787480
C 1.738545 -2.058581 1.499333
C -0.581720 -1.626555 0.834285
C -0.263487 -2.068714 -0.477220
C 0.427036 -1.654484 1.828172
C -4.120040 -0.260124 0.401093
C -4.609214 1.125327 0.930289
C -1.986522 -1.234779 1.216840
C 4.508273 0.380185 0.089295
C -4.438265 2.345519 -0.021306
C 2.148562 1.213368 -0.871496
C -4.749935 -0.597520 -0.953393
C 2.773243 1.932625 0.209495
C 0.830177 1.641879 -1.281068
C -3.009832 2.875049 -0.062852
C 0.876144 3.239693 0.498813
H 4.117825 -2.762607 0.771851
H 5.253696 -1.999109 -1.209911
H 3.774703 -2.085372 -2.214253
H 3.040801 -4.430796 -1.587148
H 4.723726 -4.447241 -1.023708
H 1.263504 -2.849047 -1.804735
H 2.515838 -2.041947 2.273066
H 3.442332 -6.392440 -0.054701
H 2.268823 -5.272145 0.694821
H 3.964586 -5.293612 1.252894
H -1.048187 -2.102434 -1.243053
H 0.170689 -1.357020 2.850265
H -4.470958 -1.009207 1.139571
H -5.686798 1.014775 1.147302
H -4.096922 1.318222 1.889837
H -2.193644 -0.034734 -0.503648
H 5.498768 0.058601 0.434563
H -5.077935 3.160837 0.358071
H -4.771136 2.090159 -1.043067
H -6.532046 -0.780950 -1.769095
H -0.793248 1.244211 -2.514770
H 0.653659 0.218432 -2.720283
H -0.988758 2.677942 -0.779075
H -0.900779 4.186704 1.048766
H 0.580762 4.579052 1.998375


