%chk=000039294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039294

0 1
 O   2.4999999E-03   1.393800       1.597900    
 N   0.2626000     -0.7406000      0.6231000    
 N    4.361700      0.5191000     -0.1138000    
 C   -1.942800     -2.5800001E-02   1.112300    
 C   -1.920300      -1.390300      0.4776000    
 C    1.700300     -0.7920000      0.5006000    
 C  -0.6019000      -1.766100      0.2167000    
 C  -0.4468000      0.3422000       1.164600    
 C    2.184900     -0.3769000     -0.8873000    
 C    3.707200     -0.3830000      -1.053700    
 C   -2.709500      0.9814000      0.3274000    
 C   -2.973100      -2.237500      0.1772000    
 C  -0.2927000      -2.985400     -0.3605000    
 C    3.900000       1.894300     -0.3124000    
 C    5.816900      0.4468000     -0.2576000    
 C   -2.679200      -3.472300     -0.4064000    
 C   -1.350200      -3.842400     -0.6739000    
 C   -4.047200       1.236700      0.6342000    
 C   -2.092300       1.672000     -0.7170000    
 C    4.524200       2.835200      0.7041000    
 C    6.318500     -0.9729000     -5.5300001E-02
 C   -4.765500       2.179700     -0.1012000    
 C   -2.810400       2.615000      -1.452200    
 C   -4.147100       2.868900      -1.144300    
 H   -2.293200     -9.8300003E-02   2.149200    
 H    2.051100      -1.798500      0.7554000    
 H    2.115800     -0.1134000       1.254100    
 H    1.743600      0.5824000      -1.180400    
 H    1.778600      -1.088300      -1.619300    
 H    3.956700     -0.1279000      -2.092100    
 H    4.014000      -1.421800     -0.8929000    
 H   -4.000200      -1.960200      0.3869000    
 H   0.7279000      -3.283700     -0.5705000    
 H    4.106800       2.254000      -1.328200    
 H    2.821700       1.975600     -0.1481000    
 H    6.151700      0.8196000      -1.233800    
 H    6.310200       1.047200      0.5136000    
 H   -3.486200      -4.156300     -0.6550000    
 H   -1.144500      -4.808100      -1.128200    
 H   -4.541000      0.7061000       1.444100    
 H   -1.061100       1.487500      -1.004100    
 H    5.573600       3.053800      0.4839000    
 H    4.448000       2.440500       1.723200    
 H    3.996600       3.795700      0.6869000    
 H    7.406200     -0.9598000      8.0200002E-02
 H    6.123900      -1.614100     -0.9206000    
 H    5.886300      -1.435200      0.8389000    
 H   -5.806400       2.376900      0.1380000    
 H   -2.330900       3.147900      -2.268100    
 H   -4.706600       3.602100      -1.717800    


%chk=000039294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039294

0 1
O 0.337451 1.156286 1.426487
N 0.426005 -0.950222 0.350905
N 4.328351 0.664317 -0.302490
C -1.759217 -0.192233 0.974989
C -1.818211 -1.545870 0.285467
C 1.879885 -0.981691 0.138596
C -0.498120 -1.945867 -0.060834
C -0.229185 0.132014 0.964317
C 2.297915 -0.475228 -1.261649
C 3.828589 -0.261519 -1.347472
C -2.589681 0.938705 0.365968
C -2.903830 -2.380685 -0.015286
C -0.237520 -3.170058 -0.705175
C 3.982848 2.093175 -0.551281
C 5.764196 0.475137 0.028380
C -2.662321 -3.622486 -0.661884
C -1.343383 -4.006892 -1.000045
C -2.975746 2.034419 1.177888
C -2.940150 0.945699 -1.007736
C 3.714432 2.869887 0.752781
C 6.040438 -0.795501 0.855823
C -3.704001 3.113817 0.631168
C -3.668681 2.024888 -1.555734
C -4.054483 3.112572 -0.738735
H -2.040367 -0.290180 2.043095
H 2.246796 -2.011262 0.312918
H 2.346295 -0.319989 0.888484
H 1.769348 0.476337 -1.458865
H 1.986729 -1.184984 -2.053304
H 4.088488 0.086585 -2.379604
H 4.333276 -1.236690 -1.210216
H -3.924830 -2.075705 0.239542
H 0.779465 -3.473521 -0.973107
H 4.784314 2.597631 -1.146180
H 3.068593 2.127982 -1.170775
H 6.400856 0.470735 -0.894242
H 6.082419 1.352649 0.621071
H -3.500793 -4.284861 -0.901344
H -1.170277 -4.966406 -1.500373
H -2.693099 2.046987 2.236946
H -2.650638 0.103027 -1.645573
H 4.582649 2.828532 1.436657
H 2.840010 2.441409 1.272223
H 3.507465 3.934917 0.534528
H 7.112407 -0.855346 1.121864
H 5.784943 -1.718033 0.302976
H 5.445243 -0.777868 1.785643
H -3.995866 3.953739 1.271570
H -3.935346 2.016822 -2.618837
H -4.621261 3.948428 -1.164145


