%chk=000176931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176931

0 1
 O  -0.5506000       3.340000     -5.7900000E-02
 O    1.724600       4.078700     -0.1947000    
 O   -3.012500      -2.971300      0.2091000    
 O   -4.953100       1.344900      0.2143000    
 O    4.076100     -0.5794000       1.063300    
 O    4.121900     -0.7443000      -1.232400    
 O    2.249800      -2.792100      -1.169700    
 O    2.365500      -2.743800       1.021900    
 N    1.875700      -2.351700     -6.0300000E-02
 C  -4.2199999E-02  0.9129000     -3.1900000E-02
 C    1.065100      1.7600000E-02 -7.0000000E-02
 C   -1.384400      0.3676000      5.0099999E-02
 C   0.3112000       2.278800     -8.0499999E-02
 C   -1.552300      -1.042400      9.0300001E-02
 C   0.8482000      -1.360500     -2.7899999E-02
 C    2.394800      0.4933000     -0.1505000    
 C    1.618500       2.721800     -0.1592000    
 C  -0.4379000      -1.882000      5.0999999E-02
 C    2.681200       1.853700     -0.1961000    
 C   -2.575600       1.137400      9.4499998E-02
 C   -2.833100      -1.615900      0.1695000    
 C   -3.844900      0.5554000      0.1731000    
 C   0.3432000       4.463200     -0.1307000    
 C   -3.973800     -0.8227000      0.2107000    
 C    3.602600     -0.3313000     -0.1928000    
 C   -3.162600      -3.636300      -1.040900    
 C   -6.216400      0.6866000      0.2942000    
 C    5.260800      -1.378200       1.153600    
 H  -0.5601000      -2.964000      9.0499997E-02
 H    3.697900       2.228300     -0.2577000    
 H   -2.544000       2.221800      6.8700001E-02
 H   0.1919000       5.091100      0.7546000    
 H   9.8200001E-02   5.050600      -1.023000    
 H   -4.927400      -1.335800      0.2735000    
 H   -3.188000      -4.713600     -0.8550000    
 H   -2.325300      -3.418300      -1.711400    
 H   -4.104500      -3.343000      -1.515200    
 H   -6.985500       1.465500      0.3165000    
 H   -6.314400      0.1146000       1.223200    
 H   -6.408200      7.4000001E-02 -0.5933000    
 H    5.419700      -1.632300       2.204900    
 H    6.119800     -0.8038000      0.7951000    
 H    5.154100      -2.304900      0.5817000    


%chk=000176931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176931

0 1
O -0.619162 3.210426 0.299425
O 1.606570 4.053535 0.493283
O -2.850647 -3.137966 -0.457769
O -4.799080 1.407465 -0.333478
O 4.859127 0.044509 0.518642
O 3.733972 -1.321558 -0.994543
O 1.767192 -3.779553 0.328865
O 2.820729 -2.169578 1.545181
N 1.902449 -2.556161 0.715262
C 0.027836 0.750497 0.191835
C 1.190268 -0.130522 0.222984
C -1.328570 0.221306 0.010842
C 0.307480 2.133742 0.311800
C -1.486276 -1.206012 -0.119642
C 0.906453 -1.558509 0.263313
C 2.517870 0.425575 0.209280
C 1.610178 2.638786 0.421528
C -0.363784 -2.069912 0.051652
C 2.733794 1.816655 0.341677
C -2.475254 1.052813 -0.062890
C -2.799184 -1.748269 -0.339068
C -3.746757 0.487318 -0.274727
C 0.180022 4.423764 0.632567
C -3.928815 -0.917500 -0.420277
C 3.714645 -0.401507 -0.141143
C -4.155797 -3.770823 -0.666889
C -6.156558 0.901327 -0.556759
C 6.091022 -0.724404 0.219578
H -0.514554 -3.151209 0.071457
H 3.746638 2.221806 0.349573
H -2.400839 2.135238 0.031292
H -0.026719 4.707297 1.681605
H -0.062885 5.218206 -0.088835
H -4.921557 -1.338267 -0.590981
H -3.944062 -4.848060 -0.720072
H -4.614322 -3.432579 -1.615895
H -4.839687 -3.563731 0.178634
H -6.795614 1.795962 -0.562325
H -6.472981 0.223774 0.259708
H -6.237314 0.381204 -1.530806
H 6.866145 -0.264990 0.848711
H 6.344102 -0.645839 -0.851317
H 5.937924 -1.784055 0.481925


