%chk=000015032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015032

0 1
 O    5.011400      -1.188000      -1.076400    
 O   -6.767200      0.2341000      0.3998000    
 N    4.770700       2.730300       1.384800    
 C    1.908900     -0.6827000     -0.1535000    
 C    1.196500      0.6779000     -2.3200000E-02
 C  -0.2618000      0.6461000     -0.4930000    
 C   -1.048400     -0.4221000      0.3213000    
 C   -2.553000     -0.5206000     -0.1552000    
 C    3.318100     -0.2759000      0.3367000    
 C    1.175300      -1.676200      0.7585000    
 C  -0.3130000      -1.788900      0.3864000    
 C    2.162000       1.654100     -0.6924000    
 C    3.560900       1.116100     -0.3066000    
 C  -0.9170000       2.025400     -0.3262000    
 C   -3.156300      0.8775000     -0.3492000    
 C    1.955500      -1.230000      -1.603600    
 C   -3.362900      -1.278000      0.9393000    
 C   -2.409500       1.993900     -0.4076000    
 C   -2.669600      -1.282200      -1.497500    
 C   -4.660000      0.9694000     -0.4693000    
 C    4.391800      -1.261200     -1.6400000E-02
 C   -4.878800      -1.218600      0.7557000    
 C   -5.366800      0.2232000      0.6577000    
 C    4.237500       2.018900      0.6393000    
 C    4.675700      -2.342500      0.9907000    
 H    1.175400      0.9532000       1.045100    
 H  -0.2933000      0.3911000      -1.558300    
 H   -1.065900     -5.3100001E-02   1.359900    
 H    3.314100     -0.1715000       1.431500    
 H    1.253300      -1.360300       1.806700    
 H    1.630100      -2.670700      0.6977000    
 H  -0.3889000      -2.312900     -0.5706000    
 H  -0.7980000      -2.434200       1.127500    
 H    1.988800       2.685100     -0.3648000    
 H    2.037100       1.633100      -1.781500    
 H    4.170200       1.061200      -1.216200    
 H  -0.5371000       2.698200      -1.104500    
 H  -0.6423000       2.470100      0.6384000    
 H   0.9623000      -1.334900      -2.047900    
 H    2.533600     -0.5884000      -2.276100    
 H    2.415100      -2.224900      -1.627900    
 H   -3.127700     -0.8577000       1.926600    
 H   -3.064000      -2.332400      0.9744000    
 H   -2.896400       2.959100     -0.5255000    
 H   -3.690600      -1.273900      -1.893700    
 H   -2.028500     -0.8452000      -2.270000    
 H   -2.395400      -2.336600      -1.389700    
 H   -5.002900       2.012300     -0.4702000    
 H   -4.973900      0.5704000      -1.442300    
 H   -5.181100      -1.785300     -0.1335000    
 H   -5.375100      -1.715700       1.598300    
 H   -5.202500      0.7383000       1.611400    
 H    4.857000      -1.899000       1.973000    
 H    3.841200      -3.042900       1.039200    
 H    5.574600      -2.889400      0.6913000    
 H   -6.923600     -0.2356000     -0.4372000    


%chk=000015032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015032

0 1
O 5.121827 -1.199070 -1.056849
O -6.893302 0.251278 0.497070
N 4.879054 2.773212 1.347086
C 1.916392 -0.699257 -0.166647
C 1.194936 0.681590 -0.053146
C -0.278186 0.668527 -0.509811
C -1.067349 -0.410400 0.298874
C -2.568651 -0.526412 -0.171811
C 3.354352 -0.280953 0.350132
C 1.157059 -1.693687 0.743829
C -0.335430 -1.784212 0.327527
C 2.170236 1.677395 -0.718761
C 3.593273 1.131258 -0.312710
C -0.924867 2.058362 -0.302919
C -3.183199 0.878847 -0.343540
C 1.998547 -1.228154 -1.623391
C -3.378669 -1.281480 0.940557
C -2.434905 2.015020 -0.378737
C -2.684651 -1.301005 -1.522380
C -4.701409 0.953029 -0.473838
C 4.471114 -1.276902 0.021446
C -4.911996 -1.256540 0.744051
C -5.428185 0.190731 0.658488
C 4.309711 2.037080 0.598159
C 4.760184 -2.356606 1.051442
H 1.178531 0.925081 1.034990
H -0.330624 0.424370 -1.591104
H -1.098993 -0.035576 1.348343
H 3.286080 -0.174576 1.450485
H 1.228422 -1.351602 1.797986
H 1.605738 -2.706036 0.696187
H -0.395099 -2.260939 -0.667812
H -0.854533 -2.464511 1.028794
H 2.019626 2.715203 -0.379290
H 2.063228 1.666944 -1.818746
H 4.228620 0.977645 -1.207069
H -0.537862 2.773422 -1.056737
H -0.612889 2.468823 0.683738
H 1.004243 -1.265327 -2.098045
H 2.653305 -0.607261 -2.258149
H 2.415736 -2.251538 -1.641523
H -3.143088 -0.815026 1.919886
H -3.036836 -2.332549 0.996078
H -2.950327 2.982179 -0.475649
H -3.703583 -1.234544 -1.941149
H -1.995136 -0.885728 -2.279552
H -2.453398 -2.374156 -1.393345
H -5.035628 2.005931 -0.482348
H -5.026838 0.504861 -1.439372
H -5.190988 -1.798327 -0.184331
H -5.412105 -1.776548 1.582331
H -5.260125 0.704792 1.622273
H 5.278792 -1.899284 1.917595
H 3.827588 -2.804698 1.439399
H 5.409040 -3.135945 0.622657
H -7.131181 -0.189232 -0.359442


