%chk=000147127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147127

0 1
 O    5.501300       1.510800      0.6032000    
 O   -6.046100      -1.749500      0.1076000    
 O    6.733200     -0.8313000     -0.2469000    
 O   -3.821100      -2.339400      8.7499999E-02
 N   -1.584100       1.987300     -6.9200002E-02
 N   -1.940900     -0.2055000     -1.7000000E-03
 C   -2.947200       1.838900     -4.3299999E-02
 C   -3.144400      0.4614000     -1.5000000E-03
 C   -1.027700      0.7388000     -4.2700000E-02
 C   -4.455900     -4.1800000E-02  3.3500001E-02
 C   -3.992500       2.763100     -5.2600000E-02
 C   -5.521000      0.8676000      2.4900001E-02
 C   0.3752000      0.6581000     -6.4000003E-02
 C   -5.291200       2.244700     -1.7200001E-02
 C    2.610000     -0.5794000     -0.1237000    
 C    1.139400     -0.4942000     -8.1900001E-02
 C    3.364400      0.5163000      0.2633000    
 C    3.209300      -1.753300     -0.5503000    
 C   -4.705900      -1.471100      7.7299997E-02
 C    4.756400      0.4356000      0.2227000    
 C    5.374600     -0.7397000     -0.2044000    
 C    4.601000      -1.834100     -0.5909000    
 C    5.846600       2.451900     -0.4113000    
 C    7.388100      -1.304700      0.9282000    
 C   -6.421600      -3.130300      0.1534000    
 H   -1.089600       2.869600     -0.1021000    
 H   -3.811600       3.831400     -8.5500002E-02
 H   -6.557000      0.5389000      5.0600000E-02
 H   0.9015000       1.609700     -9.7000003E-02
 H   -6.136900       2.928100     -2.2900000E-02
 H   0.6184000      -1.450700     -7.9300001E-02
 H    2.916600       1.438600      0.6209000    
 H    2.620400      -2.613900     -0.8561000    
 H    5.076100      -2.752400     -0.9254000    
 H    4.945100       2.897500     -0.8436000    
 H    6.442100       1.972900      -1.194900    
 H    6.444000       3.245200      4.6200000E-02
 H    7.065100      -2.323900       1.162800    
 H    7.186300     -0.6418000       1.775600    
 H    8.465100      -1.313600      0.7401000    
 H   -6.027800      -3.597800       1.060700    
 H   -6.057700      -3.649400     -0.7382000    
 H   -7.513100      -3.186100      0.1732000    


%chk=000147127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147127

0 1
O 5.670502 1.531951 0.113305
O -6.038500 -1.903722 -0.235182
O 6.657225 -1.224709 -0.074960
O -3.759929 -2.379909 -0.320549
N -1.799568 2.268581 0.350874
N -1.951482 0.010794 0.022612
C -3.168129 1.983097 0.316404
C -3.240712 0.552933 0.107735
C -1.101547 1.057912 0.171023
C -4.525247 -0.067557 0.024216
C -4.302262 2.804158 0.443424
C -5.665506 0.767711 0.153667
C 0.347179 0.991914 0.155820
C -5.560046 2.166913 0.358009
C 2.468823 -0.394741 -0.042973
C 1.018483 -0.193931 -0.012356
C 3.411538 0.671069 0.041911
C 2.972004 -1.721979 -0.178503
C -4.673394 -1.533609 -0.189745
C 4.793792 0.424449 0.017392
C 5.280469 -0.918149 -0.058638
C 4.356142 -1.978199 -0.181586
C 6.532185 1.737601 -1.075437
C 7.409003 -0.814832 1.136708
C -6.281272 -3.345620 -0.445188
H -1.378275 3.186078 0.483972
H -4.225109 3.885122 0.601211
H -6.651413 0.300991 0.091921
H 0.888066 1.937632 0.292242
H -6.473787 2.762993 0.451148
H 0.392829 -1.089489 -0.131785
H 3.090505 1.715521 0.111046
H 2.264624 -2.554613 -0.264070
H 4.747328 -2.997113 -0.262512
H 5.908689 1.966450 -1.960385
H 7.151755 0.844979 -1.276517
H 7.167531 2.602015 -0.829869
H 7.044179 -1.381892 2.013558
H 7.305034 0.269070 1.321559
H 8.457673 -1.076341 0.929961
H -5.836896 -3.935615 0.374801
H -5.839637 -3.676674 -1.400811
H -7.375947 -3.448740 -0.458353


