%chk=000090405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090405

0 1
 O  -0.2224000       1.650400      0.9374000    
 N   -3.390700     -0.9446000     -0.5977000    
 C   -2.485300      0.1881000     -0.3254000    
 C   -1.113600     -0.4219000      4.7400001E-02
 C   -3.092000       1.004900      0.8245000    
 C   -2.416300       1.025200      -1.609600    
 C  -2.4999999E-03  0.5544000      0.4300000    
 C   -3.516300      -1.781600      0.5797000    
 C    1.415100      0.1532000      0.1803000    
 C    1.738200      -1.182700      0.2281000    
 C    2.339000       1.136100     -8.7899998E-02
 C    3.061400      -1.557300     -5.2999998E-03
 C    3.662100      0.7613000     -0.3215000    
 C    4.023300     -0.5855000     -0.2801000    
 H  -0.7669000      -1.033600     -0.7957000    
 H   -1.179400      -1.062900      0.9331000    
 H   -4.177900       1.120500      0.7184000    
 H   -2.687300       2.023600      0.8335000    
 H   -2.883400      0.5804000       1.812300    
 H   -1.755000       1.889300      -1.483000    
 H   -2.031600      0.4365000      -2.450600    
 H   -3.404000       1.407900      -1.892800    
 H   -4.310900     -0.5888000     -0.8572000    
 H   -3.818300      -1.274200       1.498500    
 H   -2.642500      -2.413100      0.7620000    
 H   -4.322200      -2.499100      0.3782000    
 H    1.014400      -1.957500      0.4577000    
 H    2.070500       2.187200     -0.1288000    
 H    3.343900      -2.605500      3.0999999E-02
 H    4.411100       1.517800     -0.5367000    
 H    5.053700     -0.8771000     -0.4612000    


%chk=000090405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090405

0 1
O -0.180761 1.973721 -0.076814
N -3.419280 -1.013227 -0.444497
C -2.560670 0.206996 -0.273282
C -1.098341 -0.307576 -0.143344
C -2.966397 1.072186 0.953896
C -2.729576 1.028038 -1.575076
C 0.029923 0.723140 -0.094762
C -3.617614 -1.919149 0.703635
C 1.448433 0.206746 -0.061629
C 1.767015 -1.178832 -0.081611
C 2.505385 1.156149 -0.004558
C 3.113167 -1.602326 -0.045470
C 3.848429 0.733481 0.031127
C 4.156471 -0.648843 0.010610
H -0.919416 -0.999404 -0.991267
H -1.007878 -0.931717 0.770919
H -4.023600 1.387566 0.864178
H -2.333365 1.973250 1.009833
H -2.855515 0.512463 1.901542
H -2.118524 1.943227 -1.539552
H -2.433313 0.424899 -2.452549
H -3.789180 1.324998 -1.704259
H -4.315341 -0.753057 -0.878372
H -4.060171 -1.448080 1.612518
H -2.658148 -2.380967 1.002005
H -4.285025 -2.743020 0.391944
H 0.971623 -1.929648 -0.126565
H 2.239972 2.218536 0.009975
H 3.349951 -2.671911 -0.062335
H 4.655077 1.473531 0.074497
H 5.200868 -0.979770 0.037864


