%chk=000100024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100024

0 1
 O   -2.769100       1.783800      0.3207000    
 O   -1.184900      5.6800000E-02  -2.098800    
 O  -0.1766000     -0.4206000       2.398000    
 O   -1.605900       3.644900     -0.3662000    
 N  -0.6148000      0.2414000      0.1806000    
 N    5.683800     -0.6398000      0.2775000    
 C  -0.3761000       1.667600      0.2799000    
 C   0.7812000       2.104800     -0.6303000    
 C  -0.9902000     -0.3926000     -0.9848000    
 C  -0.4913000     -0.6311000       1.241500    
 C   -1.130800      -1.806300     -0.6373000    
 C  -0.8292000      -1.950500      0.7089000    
 C    2.084100       1.376100     -0.3897000    
 C   -1.637000       2.485000      3.2099999E-02
 C   -1.489500      -2.881400      -1.424300    
 C  -0.8703000      -3.177200       1.339100    
 C    2.986100       1.887700      0.5276000    
 C    2.347600      0.2116000      -1.091000    
 C   -1.538300      -4.134500     -0.8069000    
 C   -1.231900      -4.280900      0.5615000    
 C    4.187500       1.215000      0.7502000    
 C    3.549000     -0.4613000     -0.8683000    
 C    4.469000      4.0300000E-02  5.2400000E-02
 C   -4.000800       2.487900      0.1326000    
 C   -5.151700       1.573500      0.4948000    
 H  -9.5100001E-02   1.883800       1.319400    
 H   0.5031000       2.001300      -1.687700    
 H   0.9579000       3.182300     -0.5048000    
 H   -1.724700      -2.769300      -2.476100    
 H  -0.6341000      -3.290200       2.390600    
 H    2.774000       2.799800       1.077700    
 H    1.653600     -0.1815000      -1.826200    
 H   -1.816100      -5.010100      -1.388000    
 H   -1.277600      -5.267300       1.015900    
 H    4.895900       1.615600       1.470800    
 H    3.758500      -1.373200      -1.421600    
 H   -4.016400       3.375000      0.7755000    
 H   -4.088700       2.795600     -0.9153000    
 H   -6.111400       2.080500      0.3611000    
 H   -5.137600      0.6723000     -0.1270000    
 H   -5.067900       1.242600       1.535200    
 H    6.350800     -0.2769000      0.9455000    
 H    5.888000      -1.491900     -0.2274000    


%chk=000100024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100024

0 1
O -2.759399 1.780464 0.274883
O -1.232852 0.085516 -2.108792
O -0.167328 -0.294791 2.463251
O -1.583651 3.754154 -0.106861
N -0.597765 0.231300 0.183180
N 5.805383 -0.594038 0.223942
C -0.327395 1.667397 0.276127
C 0.791027 2.148669 -0.703124
C -1.038390 -0.446931 -0.986992
C -0.502308 -0.646149 1.305850
C -1.209439 -1.879281 -0.580075
C -0.886360 -1.998595 0.793047
C 2.112913 1.438619 -0.470456
C -1.598755 2.521471 0.110277
C -1.612768 -2.989940 -1.335498
C -0.956066 -3.231541 1.457839
C 2.950544 1.785141 0.621268
C 2.546291 0.391857 -1.323293
C -1.686300 -4.243301 -0.673200
C -1.362900 -4.362287 0.702488
C 4.168287 1.121085 0.858231
C 3.762808 -0.284859 -1.103218
C 4.596019 0.068657 -0.003246
C -4.045706 2.537244 0.143739
C -5.170056 1.525258 0.333453
H 0.022908 1.826365 1.317359
H 0.438412 1.993209 -1.736823
H 0.884320 3.238353 -0.547649
H -1.860752 -2.885510 -2.396408
H -0.703768 -3.310426 2.519864
H 2.649647 2.596476 1.297113
H 1.924429 0.109057 -2.182319
H -1.997760 -5.133349 -1.230514
H -1.429098 -5.342438 1.186883
H 4.796804 1.414585 1.708372
H 4.074305 -1.086861 -1.784233
H -4.053700 3.335470 0.907782
H -4.062009 3.011426 -0.853850
H -6.147639 2.033463 0.244910
H -5.118439 0.733992 -0.433558
H -5.112321 1.052931 1.328881
H 6.396823 -0.342921 1.010136
H 6.114106 -1.340339 -0.391366


