%chk=000059311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059311

0 1
 O    1.669600       1.087900      0.3895000    
 O    1.033200      -1.383400     -0.6780000    
 O   -3.054900       1.644300      -1.270400    
 N  -1.1200000E-02  -2.865700      0.7733000    
 N   -4.455500       1.115800      0.5034000    
 C   0.4646000      0.7989000       1.104800    
 C  -0.7128000       1.099000      0.1682000    
 C  -0.1060000      -3.979900     -0.1414000    
 C   0.5103000     -0.6574000       1.576000    
 C   -5.696400       1.385100     -0.1831000    
 C   -2.079000      0.9325000      0.8295000    
 C   0.5568000      -1.649200      0.4222000    
 C   -3.221800       1.272100     -0.1119000    
 C    1.302000      -4.389000     -0.5892000    
 C  -0.9358000      -3.559300      -1.358900    
 C  -0.7830000      -5.159700      0.5656000    
 C   -6.870500       1.081600      0.7548000    
 C   -5.730500       2.860300     -0.5962000    
 C   -5.790300      0.4954000      -1.428000    
 C    2.810700      0.8897000       1.207300    
 C    4.043600       1.205200      0.4124000    
 C    4.669300      0.1995000     -0.3158000    
 C    4.549100       2.500600      0.4107000    
 C    5.815300      0.4926000      -1.054900    
 C    5.695000       2.793700     -0.3286000    
 C    6.328200       1.789700      -1.061300    
 H   0.4041000       1.466200       1.974000    
 H  -0.6106000       2.134200     -0.1867000    
 H  -0.6573000      0.4956000     -0.7455000    
 H    1.324900     -0.8901000       2.265300    
 H  -0.3968000     -0.8522000       2.162100    
 H   -2.152000       1.581500       1.710000    
 H   -2.226200     -0.1029000       1.155000    
 H  -0.3662000      -2.988100       1.717500    
 H   -4.488000      0.8116000       1.472600    
 H    1.945200      -4.597600      0.2739000    
 H    1.265600      -5.297700      -1.201800    
 H    1.801400      -3.624200      -1.191400    
 H  -0.4492000      -2.792300      -1.968600    
 H   -1.912000      -3.164100      -1.053600    
 H   -1.118000      -4.415900      -2.018500    
 H   -1.789500      -4.890800      0.9070000    
 H  -0.8740000      -6.025900     -9.8999999E-02
 H  -0.2130000      -5.471600       1.448700    
 H   -6.821900       1.697000       1.660800    
 H   -7.832600       1.276000      0.2681000    
 H   -6.860600      3.2800000E-02   1.073700    
 H   -4.976000       3.116900      -1.345700    
 H   -5.568900       3.515500      0.2681000    
 H   -6.704200       3.119100      -1.028900    
 H   -5.644800     -0.5605000      -1.170700    
 H   -6.778400      0.5874000      -1.894800    
 H   -5.058600      0.7489000      -2.200500    
 H    2.928500     -0.1434000       1.541400    
 H    2.759200       1.528700       2.097600    
 H    4.277100     -0.8139000     -0.3214000    
 H    4.062500       3.290500      0.9762000    
 H    6.307700     -0.2888000      -1.626300    
 H    6.094100       3.803800     -0.3343000    
 H    7.220200       2.018100      -1.637200    


%chk=000059311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059311

0 1
O 1.719391 1.102325 0.793149
O 1.805360 -2.109929 0.782343
O -2.867950 -0.508156 0.399720
N -0.401423 -1.946926 0.002211
N -4.356619 1.260697 0.658727
C 0.475658 0.880639 1.541662
C -0.628504 1.442195 0.619733
C -0.291726 -2.886144 -1.157119
C 0.263481 -0.610979 1.957502
C -5.607611 0.574857 0.186051
C -2.007904 1.605949 1.321995
C 0.623412 -1.625985 0.856932
C -3.105714 0.699222 0.747419
C 0.107596 -4.299990 -0.656615
C 0.758443 -2.357203 -2.169901
C -1.690387 -2.935266 -1.819166
C -6.742902 1.621061 0.295931
C -5.432703 0.127733 -1.288617
C -5.912919 -0.643892 1.094594
C 2.956497 0.815043 1.566920
C 4.130337 0.938434 0.622322
C 4.400782 -0.114954 -0.289543
C 4.964869 2.082063 0.627130
C 5.487363 -0.017773 -1.185558
C 6.056194 2.178994 -0.267280
C 6.318496 1.128603 -1.176545
H 0.499582 1.486210 2.481240
H -0.271683 2.422083 0.257785
H -0.717877 0.786616 -0.263813
H 0.903498 -0.847746 2.824822
H -0.789221 -0.736086 2.274649
H -2.333233 2.662848 1.290705
H -1.915697 1.348037 2.397484
H -1.316227 -1.485122 0.158467
H -4.451381 2.239547 0.938944
H -0.649380 -4.690161 0.048115
H 0.181224 -4.996398 -1.512450
H 1.082350 -4.259474 -0.143754
H 1.748299 -2.288766 -1.690305
H 0.475983 -1.353262 -2.535632
H 0.826818 -3.041251 -3.035951
H -2.000073 -1.932890 -2.168571
H -1.668789 -3.614984 -2.688879
H -2.453476 -3.303564 -1.108805
H -6.540034 2.502854 -0.341100
H -7.694819 1.176229 -0.039996
H -6.879016 1.957993 1.341176
H -4.596255 -0.583952 -1.377352
H -5.230915 0.997138 -1.940251
H -6.356296 -0.365346 -1.642052
H -6.051268 -0.326660 2.144152
H -6.840905 -1.138315 0.755315
H -5.088061 -1.373160 1.050005
H 2.901263 -0.215682 1.965570
H 3.033333 1.541319 2.405433
H 3.750747 -0.997862 -0.278537
H 4.757854 2.899991 1.328786
H 5.691418 -0.835315 -1.886659
H 6.697946 3.067621 -0.255318
H 7.164474 1.200989 -1.870120


