%chk=000044508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044508

0 1
 O    4.585600      -1.960900       2.226400    
 O   0.8150000       1.697200      -1.054400    
 O    3.178500       3.099900      -1.481600    
 O   -3.755500      -1.200800      0.1094000    
 O   0.5545000     -0.9165000      -1.922500    
 O   -1.739900      -2.333100      -1.323900    
 O   -5.821700      -1.353200       1.076900    
 N    3.501700     -9.6299998E-02  0.3689000    
 C    3.627500      0.8690000     -0.7211000    
 C    3.961000      -1.425800     -5.6000002E-02
 C    4.260400      0.3457000       1.547400    
 C    3.047600       2.235700     -0.3491000    
 C    3.831300      -2.412400       1.101000    
 C    4.124700     -0.6829000       2.666500    
 C    1.575000       2.179100      5.1600002E-02
 C  -0.3119000      0.9857000     -0.7676000    
 C   -2.504900      0.8901000      0.2855000    
 C   -1.333600       1.592600     -2.8300000E-02
 C  -0.4451000     -0.3312000      -1.204400    
 C   -2.610200     -0.4266000     -0.1648000    
 C   -1.599900      -1.045500     -0.9031000    
 C   -3.617300       1.461300       1.056600    
 C   -4.694300      0.7018000       1.302200    
 C   -3.534000       2.873700       1.557400    
 C   -4.820200     -0.6889000      0.8343000    
 C   0.4962000     -0.7835000      -3.341000    
 C  -0.7705000      -3.274000     -0.8662000    
 H    3.110100      0.4974000      -1.615400    
 H    4.675900      0.9932000      -1.026600    
 H    3.358600      -1.785800     -0.8978000    
 H    5.008600      -1.380700     -0.3814000    
 H    5.320900      0.4733000       1.294300    
 H    3.885800       1.292100       1.946900    
 H    3.629200       2.706500      0.4490000    
 H    4.227800      -3.388700      0.8045000    
 H    2.784100      -2.555200       1.395000    
 H    3.088000     -0.7678000       3.014800    
 H    4.738400     -0.3857000       3.523100    
 H    1.219300       3.190500      0.2808000    
 H    1.434200       1.554100      0.9419000    
 H    2.827600       3.970900      -1.228800    
 H   -1.206900       2.624000      0.2915000    
 H   -5.534500       1.091200       1.869500    
 H   -4.430900       3.162500       2.116900    
 H   -2.679800       2.997900       2.231400    
 H   -3.433900       3.576800      0.7235000    
 H    1.354000      -1.309500      -3.768700    
 H  -0.4212000      -1.233000      -3.733700    
 H   0.5525000      0.2704000      -3.630900    
 H  -0.3243000      -2.978300      8.9900002E-02
 H   7.3000002E-03  -3.408900      -1.623100    
 H   -1.274600      -4.234600     -0.7247000    


%chk=000044508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044508

0 1
O 5.198294 -0.753241 3.399493
O 0.976153 0.616186 -0.995330
O 3.090562 2.264726 -2.055629
O -4.379233 -1.027967 -0.588673
O -0.091901 -1.275840 -2.741192
O -2.806381 -1.955472 -2.609251
O -6.467362 -1.009533 0.394055
N 4.007980 0.294744 0.969849
C 3.856772 0.644247 -0.461529
C 4.061983 -1.168558 1.228748
C 5.154376 0.978596 1.622865
C 2.990380 1.909426 -0.631510
C 4.061309 -1.423820 2.744753
C 5.143746 0.692861 3.133706
C 1.543694 1.688649 -0.169769
C -0.378570 0.299627 -0.836442
C -2.573807 0.428699 0.259451
C -1.216521 0.844502 0.148225
C -0.888686 -0.665458 -1.768375
C -3.068462 -0.552238 -0.647441
C -2.237924 -1.093505 -1.670374
C -3.487478 0.950051 1.272975
C -4.786303 0.478518 1.317940
C -3.012301 1.992331 2.261613
C -5.316680 -0.529935 0.408653
C 0.599862 -0.395240 -3.718688
C -2.301292 -3.347498 -2.612502
H 3.355598 -0.183240 -0.992343
H 4.832438 0.824432 -0.966151
H 3.174724 -1.645816 0.772992
H 4.975478 -1.633460 0.782347
H 6.127601 0.634741 1.191730
H 5.079347 2.069906 1.455282
H 3.401468 2.729201 0.000332
H 4.183272 -2.496086 2.969338
H 3.107929 -1.055759 3.182652
H 4.224448 1.123958 3.587341
H 6.034367 1.116934 3.626206
H 0.939243 2.613721 -0.289409
H 1.561086 1.385204 0.896462
H 2.527661 3.058734 -2.240876
H -0.826140 1.576277 0.858927
H -5.496683 0.847652 2.062801
H -3.819639 2.277351 2.954993
H -2.163176 1.614697 2.862305
H -2.666568 2.906972 1.743627
H 1.120702 -1.088967 -4.395377
H -0.147710 0.191331 -4.284170
H 1.318793 0.268856 -3.212003
H -2.522810 -3.832456 -1.643222
H -1.217875 -3.366482 -2.821154
H -2.859562 -3.849761 -3.416253


