%chk=000060957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060957

0 1
 O   0.3362000       2.668300     -1.3200000E-02
 O   -3.199100      -1.424900       1.807500    
 O  -0.8202000      -2.513900      -2.125400    
 O   -1.065200       1.379100      -1.314900    
 N   -3.186500      0.1663000      0.1149000    
 N  -0.4183000      -2.282900      0.1786000    
 N    5.452400      0.2642000     -0.8081000    
 N    5.308400      0.2386000       1.524200    
 C   -2.923100       1.323500      0.9395000    
 C   -3.579800      -2.130500     -0.4794000    
 C   -2.509100      -3.211600     -0.5873000    
 C   -1.417400       1.567700       1.088200    
 C   -3.303000      -1.119800      0.6227000    
 C   -1.153100      -2.626900     -0.9491000    
 C   0.8775000      -1.716200      0.2230000    
 C  -0.7288000       1.840900     -0.2333000    
 C   -3.584100       2.499600      0.3527000    
 C    1.541600      -1.448100     -0.9626000    
 C    1.454600      -1.441600       1.451800    
 C    3.414200     -0.6071000      0.3112000    
 C    2.819000     -0.8897000     -0.9181000    
 C    2.732000     -0.8831000       1.496300    
 C    1.105400       3.004800      -1.172500    
 C    4.745600     -2.4000000E-02  0.3580000    
 C    2.225500       3.906500     -0.7820000    
 C   -4.124900       3.460700     -0.1225000    
 H   -3.341400       1.136300       1.935700    
 H   -3.689200      -1.630000      -1.448500    
 H   -4.547700      -2.593800     -0.2543000    
 H   -2.785100      -3.935200      -1.363000    
 H   -2.430900      -3.770100      0.3530000    
 H   -1.261000       2.429100       1.750200    
 H  -0.9277000      0.6997000       1.542600    
 H   -3.244300      0.3085000     -0.8897000    
 H  -0.8451000      -2.449400       1.087200    
 H    1.147000      -1.635200      -1.950300    
 H   0.9309000      -1.651500       2.380300    
 H    3.304900     -0.6932000      -1.867600    
 H    3.165900     -0.6745000       2.470400    
 H   0.4585000       3.506700      -1.900900    
 H    1.503100       2.087600      -1.621000    
 H    2.831700       4.183700      -1.649300    
 H    1.846100       4.821500     -0.3148000    
 H    2.874800       3.423700     -4.3600000E-02
 H   -4.604000       4.313000     -0.5444000    
 H    5.096100      9.5700003E-02  -1.740600    
 H    6.381100      0.6696000     -0.7549000    
 H    6.236400      0.6405000       1.350700    


%chk=000060957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060957

0 1
O -2.115978 5.412599 -1.323526
O -0.889243 -0.276378 0.884551
O 0.126738 -4.114579 -1.498813
O -3.014922 3.354665 -1.923314
N -2.212291 1.167249 -0.351696
N 0.578496 -2.525516 0.183614
N 6.526680 -4.847127 1.592965
N 6.616037 -2.608214 2.507352
C -2.163235 2.245962 0.659396
C -1.679482 -1.023809 -1.336066
C -1.632339 -2.517036 -0.899630
C -1.544334 3.541639 0.062099
C -1.561366 -0.027733 -0.178124
C -0.222824 -3.131008 -0.772481
C 1.914033 -2.838461 0.540842
C -2.310485 4.056215 -1.150121
C -3.498735 2.499999 1.247082
C 2.661160 -3.891042 -0.053995
C 2.524054 -2.036910 1.549120
C 4.593866 -3.345883 1.384854
C 3.983866 -4.130072 0.371684
C 3.841429 -2.287908 1.960088
C -2.776959 6.039987 -2.519743
C 5.991323 -3.581823 1.868216
C -2.398706 7.515982 -2.503723
C -4.596899 2.723377 1.758312
H -1.489903 1.872380 1.455414
H -0.860158 -0.822309 -2.054812
H -2.623947 -0.833813 -1.879212
H -2.144079 -3.125208 -1.662688
H -2.179944 -2.639578 0.054291
H -1.499848 4.334734 0.826590
H -0.504419 3.327974 -0.252257
H -2.737907 1.387010 -1.206326
H 0.136079 -1.713425 0.667341
H 2.199355 -4.491982 -0.839299
H 1.952019 -1.220132 2.005957
H 4.549439 -4.920584 -0.136905
H 4.327054 -1.676720 2.726621
H -3.865169 5.874446 -2.430113
H -2.417608 5.514293 -3.422397
H -2.862986 8.027152 -3.366516
H -2.751945 8.004852 -1.580132
H -1.305316 7.645417 -2.571687
H -5.558726 2.909394 2.200647
H 5.943999 -5.605674 1.247006
H 7.486908 -5.062357 1.851667
H 7.567119 -2.877444 2.835268


