%chk=000040375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040375

0 1
 O   -2.460700     -0.9989000       1.306300    
 O   -2.451500      -1.529600      -1.045200    
 N    1.598500      -1.427500      0.2023000    
 N    4.738700      0.5421000     -0.1854000    
 C   -2.158000      -1.992800      0.2961000    
 C  -0.6683000      -2.324000      0.3758000    
 C   0.1833000      -1.082400      0.1401000    
 C   -3.003900      -3.235100      0.5736000    
 C    2.429800     -0.2550000     -3.0600000E-02
 C    3.905800     -0.6290000      6.5600000E-02
 C   -2.925700      2.8200001E-02  0.5423000    
 C   -2.920400     -0.2746000     -0.7999000    
 C    4.443600       1.600700      0.7815000    
 C    6.157400      0.1859000     -0.1315000    
 C   -3.363000       1.250400       1.009200    
 C   -3.352200      0.6277000      -1.749800    
 C   -3.805800       2.182700      6.8000004E-02
 C   -3.800400       1.873200      -1.303600    
 C    5.257200       2.850700      0.4924000    
 C    6.485900     -0.9125000      -1.128400    
 C   -4.290300       3.519700      0.5212000    
 H  -0.4334000      -2.736800       1.365500    
 H  -0.4158000      -3.083600     -0.3755000    
 H  -3.5399999E-02 -0.6584000     -0.8463000    
 H  -3.7799999E-02 -0.3218000      0.8975000    
 H   -2.809300      -4.021600     -0.1630000    
 H   -4.071200      -2.992800      0.5132000    
 H   -2.818300      -3.626800       1.579100    
 H    2.216900      0.1705000      -1.019200    
 H    2.146500      0.4761000      0.7309000    
 H    4.075400      -1.405500     -0.6884000    
 H    4.124500      -1.068300       1.048500    
 H    1.815200      -1.831200       1.113300    
 H    3.408200       1.940300      0.7015000    
 H    4.611400       1.275000       1.815600    
 H    6.780200       1.039900     -0.4170000    
 H    6.463800     -0.1270000      0.8747000    
 H   -3.362100       1.472500       2.070900    
 H   -3.346500      0.3848000      -2.806200    
 H   -4.148000       2.602400      -2.031400    
 H    6.306300       2.744100      0.7848000    
 H    5.208900       3.132100     -0.5652000    
 H    4.858000       3.691400       1.071400    
 H    6.141200      -1.896800     -0.7967000    
 H    6.070100     -0.7017000      -2.119700    
 H    7.573400     -0.9886000      -1.242500    
 H   -5.376100       3.499100      0.6569000    
 H   -3.824800       3.810600       1.469100    
 H   -4.040700       4.296200     -0.2098000    


%chk=000040375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040375

0 1
O -2.550808 -0.751631 1.315399
O -2.282583 -1.373643 -0.994049
N 1.723348 -1.226298 0.609809
N 5.136976 0.373320 0.109470
C -2.074276 -1.875820 0.416758
C -0.583226 -2.112624 0.656910
C 0.307599 -0.900411 0.326086
C -2.973885 -3.089110 0.639957
C 2.690711 -0.190701 0.182709
C 4.134143 -0.670489 0.437401
C -3.220116 0.166215 0.474398
C -3.062857 -0.199146 -0.881439
C 5.331500 1.345176 1.219819
C 6.416398 -0.186619 -0.402748
C -3.926450 1.307181 0.856790
C -3.609370 0.569741 -1.909524
C -4.501670 2.113213 -0.173742
C -4.334696 1.735593 -1.529746
C 5.824643 2.722728 0.736827
C 6.310246 -0.684525 -1.856799
C -5.286069 3.361861 0.195621
H -0.462091 -2.396825 1.721426
H -0.255408 -2.975380 0.048642
H 0.216747 -0.672055 -0.751402
H -0.057955 -0.005720 0.884427
H -2.695334 -3.898550 -0.056046
H -4.028336 -2.817416 0.464118
H -2.870362 -3.454240 1.676212
H 2.564409 -0.016895 -0.901754
H 2.525217 0.796106 0.683795
H 4.309675 -1.560450 -0.191272
H 4.230799 -1.013885 1.501158
H 1.857534 -1.468276 1.603469
H 4.355558 1.479551 1.722521
H 6.032738 0.941648 1.995301
H 7.175759 0.615635 -0.361596
H 6.793642 -1.012054 0.254201
H -4.034288 1.575261 1.912372
H -3.483081 0.289599 -2.958621
H -4.778562 2.358715 -2.314133
H 6.807914 2.657334 0.236737
H 5.105807 3.149920 0.016254
H 5.929485 3.417893 1.591042
H 5.571157 -1.499766 -1.959440
H 5.996264 0.142467 -2.517108
H 7.286089 -1.070416 -2.207217
H -6.173429 3.116000 0.809555
H -4.669710 4.067887 0.783750
H -5.639196 3.893905 -0.704299


