%chk=000100984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100984

0 1
 O    4.266000       1.793300       1.170900    
 O    5.730200       1.226700     -0.6574000    
 N   8.8699996E-02  -1.238500      0.5314000    
 N   -2.580000     -0.3269000      7.7299997E-02
 N   -4.048000       1.567100      4.9999999E-03
 C  -0.2220000     -0.4033000     -0.6355000    
 C   -1.055500      -2.102600      0.8457000    
 C   -1.439500      0.4842000     -0.3669000    
 C   -2.301600      -1.272200       1.162800    
 C    1.285400      -2.041600      0.2832000    
 C    2.487500      -1.186900      2.4999999E-03
 C   -3.863900      0.2123000     -6.1299998E-02
 C    2.740100     -7.6700002E-02  0.8040000    
 C    3.334400      -1.522500      -1.062600    
 C    3.856400      0.6780000      0.5071000    
 C   -4.938300     -0.6639000     -0.2680000    
 C    4.692500      0.3546000     -0.5369000    
 C    4.458500     -0.7413000      -1.341700    
 C   -6.220000     -0.1432000     -0.4087000    
 C    5.454000       2.135200      0.4280000    
 C   -5.308000       2.036500     -0.1362000    
 C   -6.416800       1.231700     -0.3429000    
 H  -0.4190000      -1.031600      -1.515400    
 H   0.5989000      0.2704000     -0.9021000    
 H  -0.8271000      -2.723800       1.720300    
 H   -1.271400      -2.781900      9.8000001E-03
 H   -1.200600       1.234300      0.3980000    
 H   -1.686400       1.018300      -1.293100    
 H   -3.139400      -1.959800       1.324700    
 H   -2.156400     -0.7148000       2.097200    
 H    1.111800      -2.740400     -0.5463000    
 H    1.517700      -2.649800       1.167100    
 H    2.104000      0.1925000       1.640100    
 H    3.129300      -2.391800      -1.682100    
 H   -4.789400      -1.737700     -0.3348000    
 H    5.119500     -0.9926000      -2.163200    
 H   -7.063300     -0.8071000     -0.5728000    
 H    6.309200       2.133300       1.113600    
 H    5.333300       3.144700      1.8600000E-02
 H   -5.407800       3.115200     -7.7299997E-02
 H   -7.406700       1.659800     -0.4508000    


%chk=000100984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100984

0 1
O 4.487651 1.497940 1.531497
O 6.066149 1.083358 -0.227692
N 0.052458 -1.189112 0.256664
N -2.629789 -0.140988 0.326557
N -4.154029 1.201500 -0.862579
C -0.397214 -0.195777 -0.753507
C -1.080602 -2.041168 0.682679
C -1.513326 0.688203 -0.174927
C -2.213162 -1.178726 1.281764
C 1.224207 -1.979171 -0.189644
C 2.504066 -1.152276 -0.274323
C -3.956825 0.188242 0.050318
C 2.778105 -0.180438 0.733578
C 3.437218 -1.383704 -1.313582
C 3.984088 0.511917 0.640935
C -5.072509 -0.477284 0.661033
C 4.914347 0.269555 -0.393877
C 4.671150 -0.677475 -1.389429
C -6.374996 -0.096858 0.294815
C 5.722507 2.010879 0.882681
C -5.425888 1.549237 -1.192940
C -6.577165 0.935164 -0.655859
H -0.769541 -0.704306 -1.678559
H 0.462880 0.437835 -1.033687
H -0.724186 -2.752007 1.452277
H -1.497892 -2.634555 -0.171221
H -1.096435 1.289760 0.660920
H -1.920024 1.370366 -0.936490
H -3.058579 -1.836584 1.535324
H -1.844629 -0.708286 2.218933
H 1.045610 -2.476812 -1.176638
H 1.364401 -2.792434 0.551754
H 2.048408 0.007870 1.525207
H 3.204966 -2.125725 -2.086169
H -4.933861 -1.260242 1.410581
H 5.391369 -0.861032 -2.190633
H -7.232000 -0.599734 0.757153
H 6.541661 2.008733 1.618185
H 5.519365 3.014660 0.463122
H -5.513599 2.362251 -1.924337
H -7.578052 1.254424 -0.958583


