%chk=000131186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131186

0 1
 O   -6.050800      0.8538000     -6.6500001E-02
 O   0.3825000      0.8299000      0.7884000    
 N  -0.8028000     -0.9453000     -0.1852000    
 C    3.871900      -1.968000      0.6610000    
 C    5.137200      -1.145300      0.4008000    
 C    2.647900      -1.095700      0.8380000    
 C   -2.142300     -0.4859000     -0.1557000    
 C   -4.466000     -0.8456000     -0.6238000    
 C   -3.735700       1.217300      0.4004000    
 C    4.984700     -0.2969000     -0.8305000    
 C    1.553400      -1.106000      5.3900000E-02
 C   -4.760600      0.4120000     -9.6799999E-02
 C   -3.146800      -1.297900     -0.6533000    
 C   -2.416600      0.7649000      0.3707000    
 C    2.691200     -0.1881000       2.042200    
 C    5.121800       1.038300     -0.9385000    
 C   0.3279000     -0.2754000      0.2651000    
 C   -5.549500      -1.722000      -1.160300    
 C   -4.031100       2.566700      0.9674000    
 C    4.952300       1.715500      -2.272700    
 C    5.431500       1.973800      0.1954000    
 H    4.012500      -2.584400       1.557400    
 H    3.714000      -2.669000     -0.1691000    
 H    5.398700     -0.5660000       1.289300    
 H    5.973400      -1.835900      0.2355000    
 H    4.764000     -0.8601000      -1.737000    
 H    1.524500      -1.791500     -0.7902000    
 H   -2.911000      -2.277000      -1.062400    
 H   -1.668400       1.433700      0.7684000    
 H    2.979800      0.8272000       1.753800    
 H    3.424200     -0.5469000       2.773900    
 H    1.738400     -0.1614000       2.580200    
 H  -0.6793000      -1.873500     -0.5849000    
 H   -6.061700      -1.235300      -1.996900    
 H   -6.273300      -1.965900     -0.3756000    
 H   -5.152100      -2.671500      -1.536300    
 H   -3.126900       3.074500       1.319600    
 H   -4.491100       3.205700      0.2063000    
 H   -4.711300       2.479200       1.821100    
 H    4.723100       1.006600      -3.075400    
 H    4.133400       2.441000      -2.227800    
 H    5.870800       2.243600      -2.548800    
 H    5.549800       1.479200       1.160600    
 H    6.362300       2.513700     -8.8000000E-03
 H    4.626400       2.708300      0.3044000    
 H   -6.658100      0.1975000     -0.4413000    


%chk=000131186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131186

0 1
O -6.157354 0.857449 -0.284571
O 0.130488 0.578383 1.727773
N -0.787776 -0.867378 0.121481
C 3.911049 -1.872390 0.955788
C 5.156111 -1.114468 0.390264
C 2.738283 -0.967329 1.310336
C -2.131474 -0.404473 0.046344
C -4.349353 -0.681047 -0.999135
C -3.974745 1.086954 0.702082
C 4.873528 -0.429674 -0.931172
C 1.529030 -1.160434 0.693502
C -4.820040 0.401837 -0.208425
C -3.000675 -1.069847 -0.857318
C -2.629648 0.675650 0.822724
C 3.012658 0.105024 2.343067
C 5.093275 0.872593 -1.274035
C 0.270679 -0.395726 0.916054
C -5.280358 -1.391939 -1.966436
C -4.523000 2.235582 1.522348
C 4.734446 1.382250 -2.661577
C 5.692706 1.923422 -0.355087
H 4.231830 -2.415386 1.870084
H 3.592873 -2.636267 0.219900
H 5.528653 -0.397915 1.143385
H 5.960853 -1.867417 0.253773
H 4.428347 -1.085982 -1.697048
H 1.470362 -1.972183 -0.048507
H -2.623715 -1.905338 -1.462700
H -1.955434 1.182640 1.515181
H 3.603243 0.924418 1.886593
H 3.618995 -0.304241 3.174019
H 2.079718 0.541980 2.726640
H -0.567345 -1.653783 -0.493539
H -5.688248 -0.704794 -2.735796
H -6.138104 -1.867654 -1.448520
H -4.748847 -2.193528 -2.505545
H -3.741032 2.666051 2.169300
H -4.923667 3.033826 0.870703
H -5.365141 1.903831 2.157534
H 4.305519 0.585312 -3.293671
H 3.996622 2.207124 -2.601634
H 5.625065 1.791044 -3.179588
H 5.940618 1.537453 0.647111
H 6.620990 2.339866 -0.794536
H 4.993771 2.774416 -0.231336
H -6.671555 0.323988 -0.939807


