%chk=000072440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072440

0 1
 O   -5.209800       2.745400       2.537500    
 O   -3.770200      -1.856500       2.011900    
 O   -3.722100       2.937400      0.8346000    
 O   -6.617100       1.142300      -3.268600    
 O   -7.843600      6.0300000E-02  -1.696100    
 N    2.013100      -2.880500     -0.4706000    
 N   -3.460300      0.1661000      0.9202000    
 N    4.008800     -0.8952000     -0.3588000    
 N    3.608200       1.227400      -2.088500    
 N    4.969400       2.568900     -0.7812000    
 N    6.000000       1.713100       1.207900    
 N    5.623300     -0.5303000       1.845900    
 N    6.348800       3.930700      0.5421000    
 C   -4.711800      0.7638000       1.311600    
 C   -5.853100      0.4559000      0.3348000    
 C   0.7478000      -2.441500     -2.8300000E-02
 C   -5.681000       1.003400      -1.087900    
 C    2.584900      -2.356400      -1.695100    
 C   -1.755900      -1.574900      0.8449000    
 C   -3.089600      -1.113600       1.309600    
 C   4.4000000E-02  -1.488300     -0.7643000    
 C   0.1997000      -2.961700       1.144300    
 C   -4.466900       2.244700       1.515800    
 C   -1.207800      -1.055000     -0.3277000    
 C   -1.052200      -2.528200       1.580800    
 C    3.232000      -1.022300      -1.445900    
 C    2.751900      -3.871600      0.2861000    
 C   -6.838600      0.6835000      -2.008800    
 C    3.034500      2.7300000E-02  -2.300400    
 C    4.581800      0.3054000     -0.1485000    
 C    4.388600       1.385300      -1.012600    
 C    5.398800      0.5396000      0.9409000    
 C    5.744600       2.675400      0.3144000    
 H   -4.975400      0.3410000       2.289900    
 H   -6.785400      0.8622000      0.7487000    
 H   -5.993600     -0.6316000      0.2779000    
 H   -4.774200      0.5807000      -1.534700    
 H   -5.583700       2.093800      -1.056700    
 H   -2.826600      0.7402000      0.3741000    
 H    3.372900      -3.027000      -2.063400    
 H    1.857400      -2.328000      -2.515100    
 H   0.4044000      -1.053700      -1.688800    
 H   0.7072000      -3.704600       1.751400    
 H   -1.736600     -0.3376000     -0.9483000    
 H   -1.461100      -2.941800       2.499000    
 H    3.722000      -4.090500     -0.1746000    
 H    2.205700      -4.820100      0.3345000    
 H    2.965600      -3.517800       1.300900    
 H    2.415200     -4.4300001E-02  -3.186300    
 H   -5.064100       3.708100       2.657500    
 H   -7.357400      0.9214000      -3.873300    
 H    6.216100     -0.3412000       2.644500    
 H    4.908100      -1.242000       1.933000    
 H    6.940100       4.058200       1.351800    
 H    6.184100       4.686800     -0.1079000    


%chk=000072440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072440

0 1
O -5.829670 3.217299 1.617136
O -3.643225 -1.325745 2.130902
O -3.912536 3.186519 0.308769
O -7.458561 -0.116103 -2.711741
O -8.213041 -0.897414 -0.659718
N 1.964750 -2.774620 -0.821158
N -3.512416 0.525707 0.749082
N 4.102779 -0.851526 -0.307278
N 4.327860 1.351618 -2.142240
N 5.720491 2.494734 -0.590077
N 6.237628 1.461271 1.602093
N 5.369296 -0.652696 2.171076
N 7.074302 3.548982 0.989828
C -4.752186 1.080768 1.298961
C -6.037988 0.388376 0.748715
C 0.772621 -2.230601 -0.331869
C -6.160527 0.492131 -0.780731
C 2.698106 -2.125864 -1.913050
C -1.713929 -1.159969 0.659667
C -3.006980 -0.676897 1.232726
C 0.187444 -1.055326 -0.905030
C 0.078078 -2.847222 0.758682
C -4.752685 2.577043 1.012084
C -1.026091 -0.542207 -0.419197
C -1.132149 -2.321491 1.231433
C 3.485795 -0.876815 -1.514085
C 2.600102 -3.898667 -0.118879
C -7.370917 -0.246596 -1.314510
C 3.609912 0.240334 -2.407135
C 4.827276 0.270850 -0.007412
C 4.972279 1.390470 -0.909319
C 5.501332 0.375421 1.284096
C 6.311623 2.464459 0.639533
H -4.760210 0.928119 2.396679
H -6.918688 0.836894 1.239978
H -5.990257 -0.669025 1.058132
H -5.261135 0.075118 -1.273474
H -6.233635 1.543094 -1.123735
H -2.962889 1.144622 0.147592
H 3.404741 -2.868146 -2.330690
H 2.007827 -1.866807 -2.739741
H 0.682381 -0.528103 -1.725016
H 0.483065 -3.744284 1.234389
H -1.427975 0.351314 -0.912545
H -1.664205 -2.800924 2.060069
H 3.547529 -4.150768 -0.619570
H 1.955403 -4.799624 -0.126318
H 2.831964 -3.645001 0.935100
H 3.096416 0.220336 -3.377470
H -5.802905 4.190162 1.407567
H -8.258278 -0.614155 -3.034455
H 5.817228 -0.597040 3.082838
H 4.788888 -1.447113 1.901659
H 7.525332 3.568199 1.900428
H 7.161529 4.319010 0.331328


