%chk=000043329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043329

0 1
 O   -1.323600      0.1579000     -6.4300001E-02
 O    5.673700     -0.4600000     -8.7000001E-03
 O  -0.7746000      -2.059700     -0.1680000    
 N   -4.957400      0.7831000     -9.7499996E-02
 N   0.8554000     -0.3826000     -6.4199999E-02
 C   -5.681200       1.890300     -0.7311000    
 C   -5.469300      0.4045000       1.220400    
 C   -7.210100       1.875100     -0.6377000    
 C   -6.527100     -0.6953000       1.092100    
 C   -7.844400      0.4951000     -0.7768000    
 C   -7.884300     -0.2545000      0.5524000    
 C   -3.526700       1.089400     -4.6300001E-02
 C   -2.702300     -0.1870000     -9.9299997E-02
 C  -0.4304000     -0.8858000     -0.1050000    
 C    7.034600       1.513500      8.5100003E-02
 C    7.047500       3.036800      0.1755000    
 C    5.615400      0.9639000      6.0899999E-02
 C    2.072300      -1.101200     -8.4700003E-02
 C    4.487900      -1.126900     -5.6400001E-02
 C    3.287200     -0.4175000     -3.6200002E-02
 C    8.466100       3.578900      0.2430000    
 C    2.058300      -2.494200     -0.1538000    
 C    4.473900      -2.519900     -0.1254000    
 C    3.259200      -3.203700     -0.1741000    
 H   -5.416000       1.893100      -1.796600    
 H   -5.341300       2.852800     -0.3243000    
 H   -5.851200       1.267600       1.779800    
 H   -4.670300     -1.5900001E-02   1.843900    
 H   -7.529400       2.339800      0.3037000    
 H   -7.596900       2.519900      -1.437200    
 H   -6.135500      -1.506400      0.4639000    
 H   -6.687200      -1.136800       2.084100    
 H   -8.880700      0.6290000      -1.111800    
 H   -7.339400     -9.8200001E-02  -1.547700    
 H   -8.509700      -1.147700      0.4303000    
 H   -8.385700      0.3659000       1.305900    
 H   -3.264400       1.696900      0.8302000    
 H   -3.225600       1.693100     -0.9142000    
 H   -2.924400     -0.8401000      0.7518000    
 H   -2.914000     -0.7325000      -1.027400    
 H    7.576300       1.078300      0.9344000    
 H    7.570300       1.181000     -0.8129000    
 H    6.538100       3.466000     -0.6950000    
 H    6.497700       3.362500       1.066300    
 H   0.9396000      0.6297000     -1.3000000E-02
 H    5.105400       1.277800      0.9802000    
 H    5.107000       1.368800     -0.8232000    
 H    3.236600      0.6650000      1.8300001E-02
 H    8.451800       4.671600      0.3057000    
 H    9.036400       3.297200     -0.6480000    
 H    8.991700       3.195000       1.123200    
 H    1.157900      -3.091200     -0.1942000    
 H    5.406100      -3.077900     -0.1415000    
 H    3.249600      -4.288600     -0.2277000    


%chk=000043329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043329

0 1
O -1.409471 0.262482 -0.127927
O 5.666273 -0.411243 -0.023217
O -0.925037 -2.043345 -0.175282
N -5.069068 1.015779 0.015540
N 0.757825 -0.366364 -0.123764
C -5.879461 2.036675 -0.684227
C -5.582582 0.545628 1.326100
C -7.401374 1.752871 -0.655199
C -6.449733 -0.729849 1.193500
C -7.793270 0.261742 -0.824793
C -7.826045 -0.514013 0.518193
C -3.615212 1.262453 -0.040743
C -2.860241 -0.068925 -0.157329
C -0.541016 -0.848588 -0.145725
C 7.164278 1.480118 0.116629
C 7.330365 3.016157 0.188893
C 5.694392 1.061070 0.045264
C 1.968132 -1.115367 -0.128208
C 4.417540 -1.049421 -0.076922
C 3.178407 -0.369425 -0.075330
C 8.811665 3.442791 0.272788
C 1.995202 -2.530334 -0.183254
C 4.459438 -2.465358 -0.133223
C 3.250115 -3.182227 -0.185241
H -5.537666 2.055885 -1.738649
H -5.709627 3.066140 -0.272894
H -6.154769 1.346110 1.850187
H -4.716340 0.314794 1.976620
H -7.839092 2.126718 0.291944
H -7.858959 2.361137 -1.460162
H -5.862197 -1.465289 0.610212
H -6.611598 -1.165371 2.201959
H -8.803221 0.206942 -1.277808
H -7.095230 -0.231585 -1.528775
H -8.295666 -1.505195 0.356541
H -8.492490 0.035531 1.216642
H -3.230015 1.826491 0.842607
H -3.390661 1.874982 -0.933232
H -3.087226 -0.753991 0.679322
H -3.101473 -0.583037 -1.103855
H 7.628276 1.008006 1.003772
H 7.693957 1.084727 -0.771158
H 6.862161 3.482317 -0.702198
H 6.783375 3.407071 1.071271
H 0.833369 0.652576 -0.097630
H 5.141020 1.403629 0.945721
H 5.203578 1.486047 -0.856311
H 3.136863 0.724427 -0.032988
H 8.912407 4.542316 0.321063
H 9.376175 3.089063 -0.610138
H 9.295436 3.018199 1.172211
H 1.061416 -3.093009 -0.221910
H 5.431413 -2.966468 -0.133744
H 3.278561 -4.276570 -0.228243


