%chk=000072315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072315

0 1
 O  -0.6553000      -2.112300      -1.190700    
 O   -1.388700      -2.758200      0.9025000    
 N   -1.497500       1.861100     -0.1180000    
 N    1.693600     -0.9082000      0.8787000    
 C  -0.7569000     -0.4593000      0.4791000    
 C   -1.698200      0.4256000     -0.4178000    
 C   -2.220400      0.8911000       2.051600    
 C   -1.129500     -0.2063000       1.978700    
 C   -1.661100       2.143700       1.324800    
 C   -3.149700      0.1311000     -1.9600000E-02
 C   0.7113000     -0.1945000      0.2307000    
 C   -3.414700      0.3822000       1.274800    
 C  -0.3868000       2.563400     -0.7562000    
 C    1.345700      0.7292000     -0.5875000    
 C   0.6660000       1.714900      -1.480000    
 C  -0.9796000      -1.912600      0.1185000    
 C   -4.123800     -0.3668000      -1.029100    
 C    2.757800      0.5501000     -0.4228000    
 C    2.941100     -0.4788000      0.4998000    
 C   -4.837300      0.7696000      -1.743900    
 C    3.901700       1.167600     -0.9730000    
 C    4.205900     -0.9224000      0.9032000    
 C    5.174000      0.7357000     -0.5807000    
 C  -0.8193000      -3.451700      -1.667400    
 C    5.321500     -0.2943000      0.3443000    
 H   -1.583500      0.2304000      -1.489900    
 H   -2.486100       1.119100       3.088200    
 H  -0.2588000      0.1355000       2.554000    
 H   -1.492800      -1.101900       2.495400    
 H   -2.350000       2.988700       1.440800    
 H  -0.7111000       2.424000       1.797200    
 H   -4.383800      0.2370000       1.732800    
 H   0.1283000       3.218000     -4.0700000E-02
 H  -0.8255000       3.242100      -1.498500    
 H    1.407400       2.397900      -1.912100    
 H   0.2216000       1.187700      -2.332700    
 H   -3.618100      -1.011800      -1.756800    
 H   -4.874600     -0.9976000     -0.5369000    
 H    1.520500      -1.647600       1.545500    
 H   -5.551200      0.3692000      -2.470900    
 H   -4.127400       1.405600      -2.283400    
 H   -5.391200       1.398700      -1.038800    
 H    3.807300       1.972800      -1.696100    
 H    4.320400      -1.725400       1.623600    
 H    6.055100       1.210800      -1.003700    
 H  -0.1745000      -4.134800      -1.106300    
 H  -0.5252000      -3.476000      -2.720000    
 H   -1.867600      -3.755200      -1.588100    
 H    6.318000     -0.6155000      0.6363000    


%chk=000072315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072315

0 1
O -1.270474 -2.214584 -1.100889
O -0.659322 -2.915526 1.025625
N -1.454183 1.857973 0.041037
N 1.730623 -0.942120 0.849705
C -0.734932 -0.480013 0.527955
C -1.684105 0.448809 -0.346030
C -2.270114 0.822452 2.113987
C -1.092361 -0.200326 2.042542
C -1.781944 2.147595 1.453345
C -3.137358 0.085318 -0.023730
C 0.725492 -0.167312 0.232631
C -3.431150 0.280521 1.291081
C -0.426336 2.676891 -0.627774
C 1.328828 0.808523 -0.572843
C 0.637360 1.859866 -1.410521
C -0.900396 -1.980719 0.220051
C -4.091085 -0.372784 -1.102581
C 2.765140 0.626402 -0.440806
C 2.987162 -0.482134 0.453297
C -4.393318 0.734410 -2.148827
C 3.889162 1.292268 -0.997750
C 4.281153 -0.933289 0.792857
C 5.183225 0.848951 -0.661062
C -1.339791 -3.640689 -1.507052
C 5.377748 -0.252940 0.224318
H -1.462281 0.308733 -1.413515
H -2.548175 1.006404 3.166144
H -0.210805 0.214797 2.564835
H -1.370290 -1.141476 2.546315
H -2.565015 2.931275 1.542874
H -0.880797 2.513075 1.998814
H -4.418048 0.094277 1.728971
H 0.100580 3.270180 0.149214
H -0.886273 3.408012 -1.330329
H 1.386613 2.576357 -1.798535
H 0.168660 1.407932 -2.307806
H -3.657637 -1.247193 -1.627573
H -5.040558 -0.705810 -0.639991
H 1.536608 -1.750098 1.442362
H -5.056220 0.348874 -2.945322
H -3.465015 1.098708 -2.625253
H -4.885935 1.600723 -1.672851
H 3.757008 2.137823 -1.682834
H 4.434304 -1.778769 1.472869
H 6.058298 1.354270 -1.085018
H -0.351479 -4.115331 -1.388984
H -1.645062 -3.616392 -2.562362
H -2.077477 -4.177466 -0.887722
H 6.396972 -0.574850 0.466028


