%chk=000128534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128534

0 1
 O   -2.480200       2.779300       1.166000    
 O    2.531400       1.081600      0.8092000    
 N    4.971900      0.3724000     -0.4562000    
 C   -1.357700     -0.2351000      7.7900000E-02
 C   -1.024300       1.142800      0.1857000    
 C   -2.238200       2.024200     -7.0000002E-03
 C   -2.800100     -0.3105000     -0.1868000    
 C   -3.325300       1.004200     -0.2359000    
 C  -0.3439000      -1.212300      0.2274000    
 C   0.9825000     -0.7506000      0.4781000    
 C   0.2648000       1.580900      0.4250000    
 C    1.263200      0.6264000      0.5711000    
 C   -3.668100      -1.375100     -0.3835000    
 C   -4.667800       1.265100     -0.4756000    
 C  -0.5304000      -2.612400      0.1499000    
 C    2.033100      -1.669400      0.6354000    
 C   -5.026500      -1.123100     -0.6232000    
 C   -5.522700      0.1850000     -0.6692000    
 C   0.5287000      -3.510800      0.3097000    
 C    3.106200       1.927900     -0.1806000    
 C    1.809500      -3.040000      0.5520000    
 C    4.612200       1.739600     -0.1920000    
 C    6.430800      0.1863000     -0.4209000    
 C    4.451000     -7.6600000E-02  -1.756500    
 H   -2.109700       2.676800     -0.8773000    
 H   0.4753000       2.642400      0.5045000    
 H   -3.349200      -2.407300     -0.3626000    
 H   -5.044700       2.281500     -0.5126000    
 H   -1.502700      -3.048100     -3.5300002E-02
 H    3.049000      -1.340900      0.8399000    
 H   -3.257600       3.339700       1.000800    
 H   -5.705800      -1.957800     -0.7773000    
 H   -6.578700      0.3555000     -0.8582000    
 H   0.3456000      -4.579600      0.2444000    
 H    2.661400       1.771300      -1.171000    
 H    2.890700       2.966300      0.1005000    
 H    2.633100      -3.736000      0.6792000    
 H    5.058600       2.428800     -0.9203000    
 H    4.993500       2.022200      0.7978000    
 H    6.830300      0.4811000      0.5559000    
 H    6.687300     -0.8699000     -0.5588000    
 H    6.938800      0.7729000      -1.194800    
 H    4.764000      0.5813000      -2.575500    
 H    4.813400      -1.087300      -1.980400    
 H    3.360600     -0.1575000      -1.762200    


%chk=000128534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128534

0 1
O -2.068576 2.958149 0.215747
O 2.630770 0.305612 0.206536
N 5.379853 0.882479 -1.028234
C -1.542781 -0.485090 0.041384
C -1.038777 0.794177 -0.273657
C -2.161928 1.750349 -0.634663
C -3.028198 -0.431221 -0.034668
C -3.406150 0.893530 -0.424384
C -0.619796 -1.540579 0.376983
C 0.799940 -1.230119 0.406676
C 0.336507 1.117740 -0.241305
C 1.250098 0.113062 0.109362
C -4.045900 -1.385353 0.203895
C -4.748571 1.265718 -0.573947
C -1.010899 -2.887293 0.680241
C 1.746684 -2.253266 0.729009
C -5.404210 -1.007211 0.061388
C -5.762555 0.304650 -0.322609
C -0.066891 -3.869085 0.994809
C 3.162393 1.642812 -0.105112
C 1.324424 -3.552703 1.020185
C 4.682777 1.589693 0.065127
C 6.677642 0.316375 -0.613994
C 5.485912 1.678447 -2.264731
H -2.087666 2.061356 -1.701827
H 0.649552 2.141854 -0.457034
H -3.818579 -2.410917 0.502876
H -5.024199 2.280499 -0.889085
H -2.067292 -3.159462 0.659609
H 2.808126 -1.991611 0.733609
H -2.878481 3.510276 0.066184
H -6.188861 -1.748146 0.252524
H -6.818304 0.576605 -0.429021
H -0.397113 -4.889425 1.219885
H 2.874007 1.924972 -1.137313
H 2.726500 2.381646 0.599318
H 2.057456 -4.329591 1.263255
H 5.050949 2.643493 0.185605
H 4.893639 1.065904 1.015300
H 6.532429 -0.356648 0.249210
H 7.100043 -0.280653 -1.442209
H 7.437197 1.089823 -0.329724
H 6.117479 2.597241 -2.144872
H 5.928870 1.060611 -3.065697
H 4.485779 1.996504 -2.607934


