%chk=000100201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100201

0 1
 O    2.016800       2.053600     -0.2833000    
 O   -2.365500      0.2938000      5.8800001E-02
 O    4.249900      -2.792300       1.818900    
 O    4.804600      -3.535500     -0.8017000    
 N   -5.471700      -1.642100      0.4168000    
 N   -2.098800       1.663100      0.1788000    
 C    1.399400      0.8706000      0.2448000    
 C   2.1500001E-02  0.6595000     -0.3740000    
 C  -0.8378000       1.851000     -3.3399999E-02
 C    2.309900     -0.3071000     -3.1199999E-02
 C  -0.1482000       3.160600      9.9999997E-05
 C    1.245500       3.180200     -0.1470000    
 C   -4.060700      -1.388300      0.1668000    
 C    2.870300      -1.019200       1.029200    
 C    2.588300     -0.6800000      -1.346100    
 C  -0.8464000       4.365200      0.1305000    
 C    1.929200       4.397700     -0.1911000    
 C   -3.751600      9.5100001E-02  0.2931000    
 C   -6.274300      -1.317300     -0.7649000    
 C   -5.686100      -3.038400      0.8049000    
 C    3.708900      -2.104500      0.7748000    
 C    3.427100      -1.765100      -1.600500    
 C  -0.1543000       5.578300      0.1042000    
 C    1.229400       5.595400     -6.0100000E-02
 C    3.987300      -2.477500     -0.5401000    
 C   -7.756100      -1.513000     -0.4929000    
 C   -5.289900      -3.986400     -0.3143000    
 C    3.915200      -2.346600       3.131700    
 C    5.038000      -3.850800      -2.172900    
 H    1.301900       1.003100       1.332400    
 H   5.9400000E-02  0.6003000      -1.468700    
 H  -0.3504000     -0.2954000      7.4000000E-03
 H   -3.724900      -1.746100     -0.8154000    
 H   -3.430700      -1.906900      0.9028000    
 H    2.620000     -0.6858000       2.030400    
 H    2.170300     -0.1307000      -2.185300    
 H   -1.927000       4.376300      0.2432000    
 H   -4.002000      0.4518000       1.300100    
 H   -4.311300      0.6886000     -0.4376000    
 H    3.008400       4.419300     -0.3183000    
 H   -6.152600     -0.2538000      -1.000500    
 H   -5.973600      -1.854300      -1.671500    
 H   -6.717300      -3.224100       1.123500    
 H   -5.083600      -3.262600       1.694900    
 H    3.600700      -1.995800      -2.645900    
 H  -0.6990000       6.513000      0.2041000    
 H    1.761700       6.541700     -8.6900003E-02
 H   -8.340200      -1.044900      -1.293300    
 H   -8.061000      -1.042800      0.4485000    
 H   -8.044600      -2.568200     -0.4714000    
 H   -5.382100      -5.015700      5.3500000E-02
 H   -4.251100      -3.874600     -0.6370000    
 H   -5.944100      -3.923000      -1.188200    
 H    4.431800      -3.006300       3.836800    
 H    2.842800      -2.447100       3.331300    
 H    4.282400      -1.331900       3.319900    
 H    5.707800      -4.716800      -2.194900    
 H    5.554700      -3.036300      -2.692000    
 H    4.115000      -4.150100      -2.681100    


%chk=000100201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100201

0 1
O 2.109870 2.143606 -0.332784
O -2.446004 0.129843 0.060666
O 4.262106 -3.200224 1.569064
O 5.373261 -3.363254 -0.828084
N -5.746307 -1.601142 0.354953
N -2.053277 1.536518 0.140077
C 1.612066 0.858253 0.244415
C 0.214126 0.535495 -0.326570
C -0.752814 1.675398 -0.060949
C 2.641289 -0.208986 -0.063405
C -0.195619 3.043903 -0.072670
C 1.209778 3.220568 -0.251623
C -4.284372 -1.434666 0.165819
C 2.971549 -1.167682 0.928394
C 3.238165 -0.299113 -1.336178
C -1.012224 4.207026 0.013518
C 1.771762 4.512399 -0.372128
C -3.892483 0.038423 0.366661
C -6.523997 -1.312025 -0.877079
C -6.128571 -2.843269 1.072017
C 3.877756 -2.213483 0.653762
C 4.156503 -1.336009 -1.621317
C -0.456752 5.493735 -0.090324
C 0.940539 5.645706 -0.293961
C 4.481060 -2.301300 -0.642993
C -8.024468 -1.088861 -0.612553
C -5.890980 -4.177563 0.311201
C 3.686012 -3.127209 2.912483
C 6.019995 -3.469377 -2.137476
H 1.526188 1.005843 1.342026
H 0.299402 0.363522 -1.418039
H -0.168014 -0.400516 0.114230
H -3.934123 -1.770941 -0.838329
H -3.749244 -2.048894 0.913075
H 2.516519 -1.086219 1.921352
H 3.011554 0.456910 -2.094066
H -2.089632 4.068983 0.146615
H -4.077027 0.356709 1.408388
H -4.446814 0.708928 -0.315618
H 2.853350 4.600482 -0.512587
H -6.105011 -0.388884 -1.319721
H -6.396776 -2.111972 -1.649784
H -7.195851 -2.767268 1.350645
H -5.563526 -2.860446 2.023563
H 4.619047 -1.382907 -2.611487
H -1.101271 6.376359 -0.022659
H 1.378835 6.645775 -0.383391
H -8.529134 -0.760820 -1.539837
H -8.163983 -0.310914 0.158759
H -8.528588 -2.010257 -0.269518
H -6.177121 -5.035579 0.947749
H -4.827055 -4.299652 0.035969
H -6.491905 -4.231197 -0.614838
H 4.121890 -3.978446 3.455415
H 2.582780 -3.227028 2.886481
H 3.960676 -2.181080 3.419263
H 6.668813 -4.354080 -2.061946
H 6.632963 -2.573665 -2.359001
H 5.276391 -3.618557 -2.944943


