%chk=000058009.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058009

0 1
 O   -1.656000       1.431700      0.1937000    
 O    5.895100     -0.6901000       1.298100    
 N    4.708500     -0.3752000     -0.6811000    
 N   -6.227700      -1.724300     -6.1200000E-02
 C    2.015600      0.9576000     -0.5632000    
 C    3.283000       1.464000      0.1326000    
 C   0.7556000       1.439000      0.1632000    
 C    4.556100       1.051500     -0.5997000    
 C  -0.5210000      0.9760000     -0.5283000    
 C   -2.783100      0.6536000      0.1310000    
 C    5.368500      -1.130300      0.2795000    
 C   -3.031900     -0.1056000      -1.006300    
 C   -3.664600      0.6328000       1.205200    
 C   -4.178800     -0.8971000      -1.070300    
 C   -4.811400     -0.1587000       1.141400    
 C   -5.068500     -0.9236000      3.5999999E-03
 C    5.360700      -2.601600     -3.8300000E-02
 H    2.014700     -0.1382000     -0.5965000    
 H    1.998800       1.314900      -1.599900    
 H    3.253200       2.558400      0.1959000    
 H    3.308800       1.082500       1.160800    
 H   0.7576000       1.078100       1.199500    
 H   0.7513000       2.534300      0.2283000    
 H    4.550300       1.438500      -1.624300    
 H    5.426700       1.474000     -8.6300001E-02
 H  -0.4870000     -0.1204000     -0.5770000    
 H  -0.5597000       1.380900      -1.546400    
 H    4.298700     -0.8482000      -1.481500    
 H   -2.380800     -9.0599999E-02  -1.874800    
 H   -3.467700       1.226900       2.093000    
 H   -4.371600      -1.483900      -1.964900    
 H   -5.496900     -0.1709000       1.984900    
 H    6.075100      -3.121300      0.6061000    
 H    4.359300      -3.005200      0.1340000    
 H    5.646000      -2.766900      -1.081100    
 H   -6.873600      -1.743600      0.7167000    
 H   -6.414700      -2.278500     -0.8862000    


%chk=000058009-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058009

0 1
O -1.635579 0.757838 0.687582
O 6.662973 -0.124466 0.824283
N 4.955492 -0.297710 -0.749830
N -6.909429 -0.977519 -0.453375
C 2.008752 0.717797 -0.428807
C 3.280535 1.356711 0.172736
C 0.744976 1.027218 0.405738
C 4.561244 1.119458 -0.661295
C -0.515644 0.395082 -0.190119
C -2.918551 0.283374 0.330879
C 5.987254 -0.828688 0.013479
C -3.202322 -0.511432 -0.805167
C -3.973202 0.652632 1.200290
C -4.527593 -0.928819 -1.064022
C -5.290726 0.236916 0.941758
C -5.594279 -0.564456 -0.198914
C 6.260003 -2.317696 -0.194592
H 2.141686 -0.382739 -0.495551
H 1.868523 1.086938 -1.467434
H 3.129859 2.451863 0.262332
H 3.446745 0.972897 1.197764
H 0.875422 0.656703 1.440443
H 0.596404 2.122044 0.474148
H 4.425096 1.517992 -1.686327
H 5.411623 1.646298 -0.194510
H -0.418127 -0.711442 -0.240028
H -0.701851 0.776705 -1.217642
H 4.439424 -0.914035 -1.378229
H -2.410079 -0.813864 -1.497013
H -3.740054 1.267493 2.075477
H -4.732350 -1.544586 -1.948709
H -6.094285 0.533432 1.627239
H 7.302642 -2.447676 -0.532366
H 6.164041 -2.839535 0.773062
H 5.585414 -2.795064 -0.927003
H -7.666460 -0.712767 0.168556
H -7.128976 -1.546398 -1.264634


