%chk=000052603.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052603

0 1
 O   -3.473500      -2.616400     -0.2048000    
 N    2.493500     -0.2363000     -0.1344000    
 N    6.781200       2.864700     -0.3149000    
 N    8.410800       1.340700      7.7100001E-02
 N   -6.884900       2.712300      0.9936000    
 N   -8.058900       1.818100     -0.7252000    
 C    3.865700     -0.2401000     -2.2800000E-02
 C    4.253500      -1.557100      0.2331000    
 C    2.001900      -1.501800      4.1800000E-02
 C    6.138200      0.5046000      3.3799998E-02
 C    4.783900      0.8108000     -0.1279000    
 C    3.067100      -2.341900      0.2711000    
 C    7.127100       1.567300     -6.6299997E-02
 C    5.624300      -1.841600      0.3923000    
 C    6.554100     -0.8005000      0.2900000    
 C    7.945500       3.697700     -0.3538000    
 C   0.5894000      -1.789500     -2.2200000E-02
 C    9.055500       2.673900     -0.1009000    
 C   -7.923700       3.685900      0.8404000    
 C   5.6899998E-02  -2.836800      0.7291000    
 C  -0.2426000      -1.020000     -0.8352000    
 C   -7.030200       1.706100      8.1200004E-02
 C   -8.730900       3.084500     -0.3133000    
 C   -6.107100      0.5847000      6.5000001E-03
 C   -2.141200      -2.345400     -0.1454000    
 C   -1.308500      -3.114800      0.6674000    
 C   -1.608100      -1.298000     -0.8968000    
 C   -4.351600      -1.547900     -0.1348000    
 C   -6.301300     -0.4163000     -0.9450000    
 C   -5.027700      0.5104000      0.8869000    
 C   -5.416000      -1.491900      -1.016200    
 C   -4.142300     -0.5652000      0.8157000    
 H    1.941500      0.5928000     -0.3067000    
 H    4.419100       1.811000     -0.3278000    
 H    3.014500      -3.408800      0.4442000    
 H    5.961900      -2.854600      0.5923000    
 H    7.605600      -1.046500      0.4171000    
 H    7.916400       4.460800      0.4294000    
 H    8.059100       4.182700      -1.327700    
 H    9.751000       2.632400     -0.9459000    
 H    9.626000       2.927600      0.7989000    
 H    5.851200       3.238300     -0.4523000    
 H   -8.525800       3.776200       1.749200    
 H   -7.516000       4.666300      0.5774000    
 H   0.6808000      -3.447400       1.376900    
 H   0.1432000     -0.2088000      -1.447400    
 H   -9.758200       2.867300     -2.0000001E-03
 H   -8.770100       3.771700      -1.165000    
 H   -6.160200       2.807400       1.693100    
 H   -1.718700      -3.930600       1.256500    
 H   -2.228300     -0.6991000      -1.558500    
 H   -7.132700     -0.3857000      -1.643900    
 H   -4.840200       1.262400       1.646400    
 H   -5.567900      -2.270700      -1.757300    
 H   -3.323500     -0.6130000       1.527600    


%chk=000052603-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052603

0 1
O -3.438361 -2.226132 -0.112702
N 2.806351 -0.067272 -0.130115
N 7.421496 2.748344 0.035075
N 8.915465 1.035217 -0.377719
N -7.603828 2.840198 0.639560
N -8.956220 1.214761 -0.283054
C 4.198988 -0.181128 -0.062586
C 4.501876 -1.579109 0.120434
C 2.214173 -1.338736 0.021774
C 6.549061 0.389028 -0.059773
C 5.198549 0.807987 -0.148288
C 3.244670 -2.281012 0.175307
C 7.657419 1.365904 -0.130947
C 5.867182 -1.975721 0.189501
C 6.868652 -0.999377 0.098989
C 8.726655 3.454454 0.077404
C 0.758681 -1.523908 -0.010507
C 9.700584 2.312946 -0.399962
C -8.870738 3.580864 0.423151
C 0.166998 -2.688681 0.557285
C -0.106936 -0.565230 -0.610870
C -7.738497 1.537971 0.122905
C -9.823976 2.413837 -0.036546
C -6.591236 0.604507 0.078427
C -2.060204 -1.909400 -0.053676
C -1.224216 -2.885697 0.534649
C -1.503813 -0.746798 -0.635594
C -4.433054 -1.219402 -0.057795
C -6.704948 -0.594808 -0.675484
C -5.382715 0.861191 0.777530
C -5.635087 -1.502989 -0.747013
C -4.302044 -0.043284 0.716008
H 2.291344 0.808693 -0.180701
H 4.944557 1.859046 -0.326578
H 3.108630 -3.357068 0.268766
H 6.133269 -3.030882 0.313320
H 7.928754 -1.266313 0.142952
H 8.965335 3.797632 1.105051
H 8.739704 4.329161 -0.596266
H 10.051111 2.494362 -1.434003
H 10.593603 2.219342 0.242748
H 6.623169 3.092828 0.568314
H -9.219862 4.070365 1.349346
H -8.755288 4.355524 -0.362134
H 0.806122 -3.434998 1.039996
H 0.309630 0.316311 -1.112926
H -10.558360 2.162675 0.752028
H -10.389697 2.663838 -0.951176
H -6.707501 3.320825 0.700607
H -1.680122 -3.779149 0.970949
H -2.147909 -0.009908 -1.124884
H -7.648152 -0.788267 -1.195165
H -5.287614 1.748738 1.413359
H -5.708876 -2.429770 -1.323240
H -3.383974 0.150394 1.278870


