%chk=000029279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029279

0 1
 O   -1.306000     -7.4800000E-02  0.9675000    
 O    4.244700      -4.015600     -0.2972000    
 O    5.444200      -2.211700     -0.6522000    
 N    2.356600       1.592700      8.0000004E-03
 N   -5.654200      -1.909700     -0.1299000    
 N    4.357100      -2.767700     -0.3630000    
 C   -1.585000       3.578400     -0.3726000    
 C   -1.166200       2.753300      0.8444000    
 C  -0.7238000       4.818500     -0.6085000    
 C   2.5000000E-02   1.874700      0.5778000    
 C   0.7325000       4.530500     -0.9716000    
 C    1.527200       3.866400      0.1514000    
 C    1.279000       2.384900      0.2536000    
 C  -9.6699998E-02  0.4846000      0.6533000    
 C    1.000400     -0.3494000      0.4047000    
 C    2.226000      0.2563000      7.9899997E-02
 C   -2.177500     -0.3705000     -0.1182000    
 C   -3.450900      -1.000200      0.4301000    
 C   0.8959000      -1.749600      0.4728000    
 C    3.320200     -0.5678000     -0.1695000    
 C   -4.438000      -1.328500     -0.6853000    
 C    3.218900      -1.959500     -0.1027000    
 C    2.004400      -2.552000      0.2191000    
 C   -5.374800      -3.183200      0.5859000    
 C   -6.658900      -2.100100      -1.178000    
 H   -1.602500       2.956700      -1.276200    
 H   -2.614500       3.922600     -0.2100000    
 H   -2.031700       2.166300       1.169500    
 H  -0.9405000       3.410100       1.694400    
 H   -1.172100       5.393900      -1.428000    
 H  -0.7608000       5.465400      0.2768000    
 H    1.208700       5.492200      -1.200900    
 H   0.7796000       3.930400      -1.888800    
 H    1.325500       4.344200       1.117600    
 H    2.595100       4.024800     -4.7699999E-02
 H   -2.421000      0.5486000     -0.6633000    
 H   -1.689100      -1.062000     -0.8152000    
 H   -3.906100     -0.3208000       1.162400    
 H   -3.146800      -1.892200      0.9887000    
 H  -4.0399998E-02  -2.238600      0.7303000    
 H    4.266800     -9.0499997E-02 -0.4204000    
 H   -3.972900      -2.004800      -1.414300    
 H   -4.681400     -0.3986000      -1.214900    
 H    1.883500      -3.630000      0.2833000    
 H   -4.811300      -3.884900     -3.8600001E-02
 H   -6.317500      -3.663600      0.8730000    
 H   -4.837600      -3.009100       1.522200    
 H   -7.594400      -2.475500     -0.7491000    
 H   -6.321900      -2.806900      -1.944700    
 H   -6.897500      -1.147500      -1.664000    


%chk=000029279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029279

0 1
O -1.310396 -0.119339 1.010281
O 4.387567 -4.040721 -0.363878
O 5.622196 -2.161938 -0.743955
N 2.429694 1.650498 -0.011848
N -5.751346 -1.948188 -0.195075
N 4.519271 -2.756554 -0.434891
C -1.599394 3.639646 -0.320562
C -1.127008 2.786815 0.895444
C -0.735347 4.891789 -0.599039
C 0.050172 1.877804 0.602445
C 0.743856 4.615038 -0.956945
C 1.568047 3.918935 0.165611
C 1.353009 2.419249 0.259822
C -0.082084 0.480971 0.652546
C 1.044484 -0.373733 0.396080
C 2.293304 0.270807 0.056341
C -2.219457 -0.406261 -0.137961
C -3.475858 -1.064913 0.432347
C 0.981468 -1.801455 0.476564
C 3.439688 -0.532672 -0.218643
C -4.418286 -1.540842 -0.695009
C 3.326080 -1.922825 -0.144323
C 2.106797 -2.578063 0.208163
C -5.706626 -3.127951 0.693915
C -6.713311 -2.135406 -1.301778
H -1.636999 3.000763 -1.226271
H -2.638168 3.970243 -0.123458
H -1.961892 2.163789 1.260565
H -0.863408 3.477273 1.722758
H -1.200328 5.468604 -1.423372
H -0.766101 5.548197 0.296131
H 1.231522 5.583128 -1.183048
H 0.806516 4.010057 -1.883220
H 1.324123 4.400452 1.135468
H 2.645410 4.069243 -0.016271
H -2.457550 0.545535 -0.655842
H -1.695671 -1.074698 -0.853074
H -4.018243 -0.347047 1.073846
H -3.162520 -1.910663 1.071622
H 0.038579 -2.268753 0.775768
H 4.385174 -0.052078 -0.479766
H -3.918702 -2.367851 -1.269383
H -4.576320 -0.707107 -1.408424
H 2.088592 -3.668919 0.265187
H -5.287975 -4.039110 0.193368
H -6.729295 -3.365684 1.036027
H -5.097342 -2.915525 1.588253
H -7.714068 -2.355265 -0.889410
H -6.436390 -2.969177 -1.996688
H -6.786159 -1.205895 -1.894518


