%chk=000097021.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097021

0 1
 O    2.912700       1.110400      0.2486000    
 O   0.9747000       1.693400     -0.8303000    
 N   4.1600000E-02  -1.045600      5.6699999E-02
 N    1.410500      -2.803900      0.1575000    
 C   -1.139800     -0.3270000      6.2600002E-02
 C    1.314400     -0.5531000     -9.1799997E-02
 C   0.1584000      -2.406100      0.2033000    
 C   -2.318300     -0.9189000     -0.3918000    
 C   -1.153800      0.9886000      0.5261000    
 C    2.136300      -1.653600     -2.5699999E-02
 C    1.668200      0.8189000     -0.2739000    
 C   -3.510800     -0.1953000     -0.3829000    
 C   -2.346300       1.712200      0.5350000    
 C   -3.524700       1.120200      8.0499999E-02
 C    3.376800       2.459700      0.1261000    
 H  -0.6868000      -3.064300      0.3574000    
 H   -2.342600      -1.934900     -0.7765000    
 H  -0.3124000       1.451600       1.031300    
 H    3.214000      -1.683800     -0.1020000    
 H   -4.428200     -0.6550000     -0.7387000    
 H   -2.365200       2.724900      0.9275000    
 H   -4.454600       1.681100      9.4200000E-02
 H    4.365500       2.522900      0.5881000    
 H    2.698500       3.139900      0.6494000    
 H    3.462100       2.734000     -0.9294000    


%chk=000097021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097021

0 1
O 3.157463 1.010249 -0.143739
O 1.006835 1.921909 -0.221254
N 0.032112 -0.947595 0.244879
N 1.407539 -2.754129 0.479657
C -1.226726 -0.241283 0.152775
C 1.363581 -0.465918 0.174625
C 0.126239 -2.325194 0.427788
C -2.194682 -0.709644 -0.766483
C -1.511237 0.848263 1.006311
C 2.177524 -1.605979 0.318900
C 1.757338 0.922766 -0.077328
C -3.460060 -0.085230 -0.825540
C -2.774480 1.471124 0.933581
C -3.752698 1.006470 0.022870
C 3.689026 2.368226 -0.397841
H -0.754342 -2.951443 0.548760
H -1.949546 -1.538533 -1.439315
H -0.752780 1.207323 1.706496
H 3.263566 -1.635156 0.305303
H -4.208469 -0.444870 -1.539618
H -2.994681 2.319341 1.590183
H -4.731980 1.494390 -0.027237
H 4.780153 2.239469 -0.419234
H 3.385699 3.057970 0.408044
H 3.314807 2.753773 -1.361283


