%chk=000035495.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035495

0 1
 O   -1.642600      0.6682000     -2.4499999E-02
 O    1.646700      0.6798000     -2.0800000E-02
 N   -1.195200      -3.602300     -0.1913000    
 N    1.204400      -3.597900     -0.1919000    
 N   -2.336400      -1.563400     -0.1110000    
 N    2.337800      -1.555300     -0.1121000    
 N   8.9999998E-04  -1.523700     -0.1091000    
 N   -3.919600      0.1172000     -4.5699999E-02
 N    3.916900      0.1191000     -4.6799999E-02
 C   8.5000005E-03  -5.692200     -0.2745000    
 C   5.7000001E-03  -4.202600     -0.2155000    
 C   -1.110000      -2.268400     -0.1384000    
 C    1.124200      -2.258600     -0.1388000    
 C   1.0400000E-02  -6.328900       1.113300    
 C   -4.547100       1.362500      2.7000001E-03
 C    4.548900       1.384100      3.5000001E-03
 C   -2.533700     -0.1742000     -5.7100002E-02
 C    2.540800     -0.1596000     -5.6000002E-02
 C   -5.939800       1.442000      5.7999999E-03
 C   -3.781900       2.528000      4.8599999E-02
 C    5.932500       1.450900      4.1000000E-03
 C    3.770900       2.529300      5.0099999E-02
 C   -6.567200       2.686800      5.4499999E-02
 C   -4.409500       3.772800      9.7400002E-02
 C    6.555600       2.697800      5.3300001E-02
 C    4.394200       3.776300      9.8999999E-02
 C   -5.802100       3.852100      0.1004000    
 C    5.786600       3.860400      0.1006000    
 H   0.8879000      -6.035700     -0.8321000    
 H  -0.8701000      -6.039000     -0.8313000    
 H   0.8955000      -6.027500       1.683600    
 H   1.2400000E-02  -7.420100       1.029600    
 H  -0.8753000      -6.030800       1.684500    
 H   -3.163100      -2.153900     -0.1342000    
 H    3.166600      -2.143000     -0.1363000    
 H   -4.543000     -0.6858000     -7.6899998E-02
 H    4.543600     -0.6810000     -7.9800002E-02
 H   -6.548600      0.5421000     -2.9400000E-02
 H   -2.701500       2.551400      4.9699999E-02
 H    6.540800      0.5516000     -3.2699998E-02
 H    2.691600       2.550600      5.2200001E-02
 H   -7.651400       2.748800      5.6899998E-02
 H   -3.815100       4.681200      0.1332000    
 H    7.639700       2.763500      5.4499999E-02
 H    3.796700       4.682700      0.1359000    
 H   -6.290700       4.821300      0.1384000    
 H    6.271900       4.831300      0.1388000    


%chk=000035495-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035495

0 1
O -1.992558 0.498953 1.040435
O 1.991082 0.500627 1.044968
N -1.206801 -3.579151 0.014994
N 1.210511 -3.577479 0.015356
N -2.379194 -1.576951 -0.059117
N 2.380153 -1.573537 -0.057067
N 0.000452 -1.456860 -0.051955
N -3.828561 0.204343 -0.416631
N 3.822909 0.212319 -0.418531
C 0.003893 -5.726151 0.058513
C 0.002222 -4.219046 0.009366
C -1.138077 -2.201808 -0.009741
C 1.140183 -2.200443 -0.009223
C 0.024701 -6.234541 1.526412
C -4.556710 1.417261 -0.241642
C 4.548676 1.427056 -0.244838
C -2.667588 -0.200924 0.252392
C 2.665417 -0.196515 0.253882
C -5.742999 1.576917 -1.008279
C -4.148324 2.446806 0.647678
C 5.731951 1.590228 -1.015328
C 4.140696 2.454677 0.646809
C -6.515598 2.749310 -0.887525
C -4.937929 3.611599 0.760546
C 6.502057 2.764437 -0.896113
C 4.927813 3.621339 0.758089
C -6.119062 3.775666 0.001327
C 6.105937 3.788986 -0.004998
H 0.896617 -6.097102 -0.473957
H -0.902080 -6.098186 -0.450001
H 0.927096 -5.873986 2.050743
H 0.026870 -7.338665 1.549153
H -0.864289 -5.877276 2.075413
H -3.155533 -2.241022 -0.138206
H 3.157948 -2.236069 -0.134960
H -4.166088 -0.409501 -1.161803
H 4.159442 -0.399957 -1.165440
H -6.061873 0.782769 -1.696595
H -3.227661 2.330275 1.222139
H 6.050480 0.797470 -1.705391
H 3.222228 2.335365 1.224203
H -7.426756 2.858826 -1.485952
H -4.617326 4.402106 1.448285
H 7.410939 2.876787 -1.497461
H 4.607614 4.410447 1.447619
H -6.718736 4.686883 0.097190
H 6.703657 4.701617 0.089642


