%chk=000152016.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152016

0 1
 O    3.443300       1.996800      -1.059600    
 O    5.176700      -1.922500      7.4400000E-02
 O    6.156100      0.6399000      0.4671000    
 N  -8.8299997E-02   1.220200      4.8599999E-02
 C    2.144500      0.2598000      1.5900001E-02
 C   0.7885000      0.1514000      6.6999998E-03
 C    2.773600       1.562500      5.3300001E-02
 C   0.1841000      -1.203000     -6.1600000E-02
 C    2.985700     -0.9625000     -1.6200000E-02
 C    4.100200       1.717700      0.1150000    
 C   -2.083300     -0.1936000      6.9999998E-04
 C   -1.487900       1.087300      5.2000001E-02
 C   -1.157800      -1.348700     -6.3699998E-02
 C    4.327500     -0.8332000      7.8000002E-02
 C    1.026500      -2.393500     -0.1457000    
 C    2.362300      -2.279700     -0.1283000    
 C   -3.505500     -0.3272000      7.7999998E-03
 C    4.957300      0.5178000      0.2343000    
 C   -4.294300      0.8526000      6.5499999E-02
 C   -2.291800       2.226800      0.1077000    
 C   -3.677600       2.109000      0.1141000    
 C   -4.201000      -1.561800     -3.8400002E-02
 C   -5.697000      0.7706000      7.4199997E-02
 C   -5.596900      -1.626500     -2.8800000E-02
 C   -6.344800     -0.4603000      2.7200000E-02
 H   0.2967000       2.155700      8.9500003E-02
 H   -1.586700      -2.342700     -0.1200000    
 H   0.5641000      -3.372700     -0.2217000    
 H    2.938700      -3.193700     -0.1861000    
 H   -1.843900       3.216800      0.1472000    
 H   -4.274800       3.018100      0.1584000    
 H   -3.669200      -2.508200     -8.2500003E-02
 H   -6.303400       1.673700      0.1181000    
 H   -6.094600      -2.591200     -6.5200001E-02
 H    4.722200      -2.731200     -0.1966000    
 H   -7.429500     -0.5062000      3.4800000E-02


%chk=000152016-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152016

0 1
O 4.521026 2.730308 -0.855977
O 5.316230 -1.781664 0.321269
O 6.109070 0.839510 0.589848
N -0.119969 1.036041 -0.063410
C 2.119204 0.196128 -0.177096
C 0.695355 -0.056882 -0.123649
C 2.530304 1.530494 -0.133150
C 0.107327 -1.366805 -0.158251
C 3.011738 -0.989272 -0.141395
C 3.951834 1.757532 -0.259330
C -2.135381 -0.307229 -0.033322
C -1.499073 0.982902 0.002721
C -1.296928 -1.464871 -0.119025
C 4.376400 -0.777502 0.093721
C 1.026360 -2.491110 -0.243938
C 2.397951 -2.304829 -0.223189
C -3.593051 -0.361970 0.017053
C 4.921231 0.606291 0.247933
C -4.339275 0.872940 0.107944
C -2.255454 2.195303 0.091905
C -3.639578 2.133226 0.144142
C -4.323832 -1.589741 -0.015331
C -5.767332 0.836162 0.162446
C -5.723589 -1.601291 0.039804
C -6.455223 -0.380996 0.129260
H 0.473500 1.915867 -0.033357
H -1.748629 -2.460936 -0.150307
H 0.609930 -3.500892 -0.329340
H 3.033176 -3.198187 -0.302275
H -1.728170 3.154338 0.118123
H -4.226362 3.055939 0.213898
H -3.794316 -2.544762 -0.084535
H -6.317253 1.781722 0.231230
H -6.261041 -2.555085 0.013344
H 4.892496 -2.671081 0.427147
H -7.548980 -0.401297 0.171187


