%chk=000055444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055444

0 1
 O   -2.237700     -4.1299999E-02  -1.423300    
 O    2.992300      -2.821800     -0.8293000    
 O   -4.852300     -0.8377000      0.9099000    
 O   -6.595200     -2.7000001E-03 -0.2788000    
 N    2.605400     -0.9651000      0.1025000    
 N    2.484600      -2.277400      0.1585000    
 N   -3.214500       1.115200      0.3377000    
 C    1.508400     -0.2795000      0.7765000    
 C    3.892200     -0.4666000      0.6149000    
 C   0.2815000     -0.2224000     -0.1355000    
 C    4.349900      0.7476000     -0.1913000    
 C  -0.9058000      0.4690000      0.5345000    
 C    5.675600       1.295200      0.3387000    
 C   -2.167700      0.4779000     -0.3126000    
 C    6.155900       2.482300     -0.4808000    
 C   -4.533900       1.240000     -0.2370000    
 C   -5.438700      8.7399997E-02  0.1153000    
 H    1.774600      0.7604000       1.008900    
 H    1.259500     -0.7487000       1.739200    
 H    4.675500      -1.232100      0.5103000    
 H    3.842200     -0.2384000       1.688700    
 H  -2.3300000E-02  -1.236000     -0.4266000    
 H   0.5306000      0.3064000      -1.064800    
 H    3.595900       1.543000     -0.1540000    
 H    4.465800      0.4668000      -1.246000    
 H  -0.6442000       1.508100      0.7680000    
 H   -1.141000     -3.6200002E-02   1.479500    
 H    5.559800       1.602400       1.384600    
 H    6.440500      0.5103000      0.3133000    
 H    5.428000       3.299500     -0.4515000    
 H    7.104300       2.858000     -8.3999999E-02
 H    6.313500       2.199400      -1.526500    
 H   -3.064500       1.494300       1.268300    
 H   -4.449100       1.296200      -1.326300    
 H   -4.972600       2.161200      0.1562000    
 H   -5.460900      -1.576300       1.124900    


%chk=000055444-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055444

0 1
O -1.174399 2.027199 0.189393
O 4.520695 -2.611770 0.427098
O -5.381832 -0.352410 -0.213769
O -6.169420 1.589311 -1.226434
N 2.906764 -1.224880 1.155214
N 3.296916 -2.512417 0.824692
N -2.944117 0.535979 0.184540
C 1.520099 -1.094405 1.633066
C 3.843453 -0.080260 1.084682
C 0.627695 -0.236226 0.709640
C 4.015146 0.503544 -0.339696
C -0.823912 -0.175787 1.236089
C 5.034927 1.664950 -0.354250
C -1.643337 0.885719 0.492097
C 5.220320 2.267252 -1.763614
C -3.828367 1.489666 -0.486093
C -5.235241 0.961090 -0.693716
H 1.525575 -0.654301 2.651834
H 1.129356 -2.125367 1.708618
H 4.826536 -0.444227 1.441492
H 3.474976 0.695353 1.780950
H 0.643439 -0.655916 -0.313720
H 1.007859 0.799481 0.645162
H 3.039061 0.862569 -0.719481
H 4.357842 -0.301733 -1.015711
H -0.810061 0.113090 2.307427
H -1.307426 -1.169960 1.175768
H 4.702983 2.458682 0.346338
H 6.011065 1.298649 0.023022
H 4.265349 2.666423 -2.153796
H 5.953837 3.093969 -1.754374
H 5.581481 1.502203 -2.475961
H -3.324427 -0.384101 0.414700
H -3.422545 1.780017 -1.475450
H -3.893876 2.435406 0.086238
H -6.311815 -0.668390 -0.369897


