%chk=000047104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047104

0 1
 O   -1.692200      0.2513000      0.1050000    
 O  -0.6731000       2.319000      0.1241000    
 N   0.5880000      0.3955000      4.4300001E-02
 N   -5.376600      0.3658000      0.2268000    
 C    2.163700      -1.234600     -3.7900001E-02
 C    2.825600      2.2000000E-02 -2.8100001E-02
 C   0.7849000     -0.9965000      7.0000002E-03
 C    1.847800       1.017200      2.2800000E-02
 C    2.644500      -2.563900     -8.1900001E-02
 C    4.191200      0.3867000     -5.8699999E-02
 C  -0.1136000      -2.086600      8.2000000E-03
 C    2.221100       2.378200      4.3200001E-02
 C  -0.6383000       1.099300      9.5299996E-02
 C   -4.045000     -0.2177000      0.1592000    
 C   -2.982300      0.8695000      0.1547000    
 C    1.749200      -3.632100     -8.0200002E-02
 C    4.554100       1.733400     -3.8300000E-02
 C   0.3855000      -3.393100     -3.5599999E-02
 C    3.577800       2.716400      1.2100000E-02
 C   -6.399600     -0.6818000      0.2735000    
 C   -5.612800       1.252100     -0.9154000    
 H    3.712900      -2.761500     -0.1170000    
 H    4.964700     -0.3759000     -9.8300003E-02
 H   -1.188800      -1.957500      4.2100001E-02
 H    1.490000       3.177700      8.2300000E-02
 H   -3.921300     -0.8578000     -0.7250000    
 H   -3.869800     -0.8670000       1.026900    
 H   -3.054000       1.481400       1.062100    
 H   -3.059200       1.513600     -0.7267000    
 H    2.122900      -4.651300     -0.1139000    
 H    5.604100       2.010400     -6.1999999E-02
 H  -0.3084000      -4.229800     -3.4499999E-02
 H    3.867900       3.763700      2.7700000E-02
 H   -6.245200      -1.331200       1.142500    
 H   -6.394500      -1.304500     -0.6285000    
 H   -7.397000     -0.2423000      0.3856000    
 H   -5.044100       2.183500     -0.8341000    
 H   -6.663400       1.566600     -0.9425000    
 H   -5.386500      0.7702000      -1.873600    


%chk=000047104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047104

0 1
O -1.681276 0.253190 0.131013
O -0.660661 2.352393 0.200207
N 0.626560 0.385208 0.069364
N -5.420883 0.420806 0.074718
C 2.240134 -1.281521 -0.062117
C 2.919724 0.009893 -0.008852
C 0.829252 -1.037405 -0.013639
C 1.915870 1.024132 0.070957
C 2.728066 -2.603707 -0.148009
C 4.285042 0.370339 -0.024205
C -0.097894 -2.098488 -0.051137
C 2.244511 2.392911 0.135988
C -0.576564 1.101565 0.138944
C -4.059886 -0.159737 0.038347
C -3.004707 0.940843 0.208880
C 1.806241 -3.671147 -0.185023
C 4.628301 1.737821 0.040059
C 0.411105 -3.414980 -0.137045
C 3.617344 2.731799 0.119064
C -6.444639 -0.542773 0.528493
C -5.809127 1.081772 -1.189376
H 3.805702 -2.796403 -0.185817
H 5.063934 -0.397473 -0.085036
H -1.169999 -1.908990 -0.015305
H 1.466524 3.154602 0.196577
H -3.856001 -0.726298 -0.904653
H -3.959367 -0.872675 0.876783
H -3.099861 1.437643 1.188933
H -3.048048 1.708516 -0.582606
H 2.166300 -4.703398 -0.251523
H 5.681794 2.037543 0.029100
H -0.292893 -4.254137 -0.167422
H 3.902869 3.788413 0.168440
H -6.168792 -0.944393 1.519343
H -6.587058 -1.405254 -0.170818
H -7.415909 -0.026275 0.630084
H -5.077678 1.861822 -1.460949
H -6.788879 1.574430 -1.060253
H -5.888950 0.367812 -2.048308


