%chk=000041638.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041638

0 1
 O   -2.396100       1.947200      0.1122000    
 O  -0.6360000     -4.0399998E-02  -1.516300    
 N    1.696000     -0.8095000     -0.2269000    
 N   0.4630000     -0.7539000      0.4018000    
 N   -2.465300      -1.724600      0.3994000    
 C    2.644900      6.4700000E-02  0.4492000    
 C   -1.920900     -0.3735000      0.5115000    
 C  -0.6470000     -0.3568000     -0.3280000    
 C    2.181900       1.516100      0.3623000    
 C    4.026800     -0.1079000     -0.1731000    
 C   -2.947300      0.6387000      7.8999996E-03
 H    2.721500     -0.2168000       1.508000    
 H   -1.670100     -0.1497000       1.554900    
 H    2.014000      -1.776300     -0.1678000    
 H    2.932900       2.183200      0.8006000    
 H    2.030600       1.828700     -0.6773000    
 H    1.248100       1.685900      0.9090000    
 H    4.371300      -1.144600     -8.7600000E-02
 H    4.761500      0.5274000      0.3334000    
 H    4.025900      0.1619000      -1.235300    
 H   0.4045000      -1.039200       1.374600    
 H   -3.856800      0.6081000      0.6170000    
 H   -3.230900      0.4689000      -1.036900    
 H   -1.772100      -2.406600      0.7044000    
 H   -2.680500      -1.939600     -0.5734000    
 H   -1.667300       2.015200     -0.5275000    


%chk=000041638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041638

0 1
O -1.956837 1.908643 0.201849
O -0.634794 -0.160002 -1.526666
N 1.785893 -0.830622 -0.125283
N 0.483634 -0.887814 0.414567
N -2.787375 -1.756088 0.166614
C 2.683068 0.188085 0.492253
C -1.967197 -0.578283 0.501989
C -0.642904 -0.507976 -0.308522
C 2.142875 1.604603 0.217180
C 4.090448 -0.020539 -0.099693
C -2.788447 0.701702 0.192067
H 2.740283 0.042060 1.602181
H -1.744449 -0.610710 1.586424
H 2.206254 -1.766826 -0.202446
H 2.801948 2.361730 0.679414
H 2.095370 1.781611 -0.871420
H 1.127018 1.738384 0.631367
H 4.482423 -1.032650 0.120277
H 4.796426 0.713541 0.325498
H 4.061881 0.112653 -1.195598
H 0.365484 -1.049389 1.426460
H -3.551062 0.848226 0.971568
H -3.291886 0.573039 -0.788032
H -2.446769 -2.645097 0.544032
H -3.009444 -1.818504 -0.833293
H -1.409241 1.896824 -0.626686


