%chk=000129338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129338

0 1
 O   9.8899998E-02  -2.583500     -0.5675000    
 O   -1.312100     -0.1509000      0.5653000    
 O   -2.407000      -3.548400       1.037200    
 O  -0.7015000      -2.336500      -3.223800    
 O   -3.520200     -4.1000001E-02   1.225200    
 O    4.657700       1.907300      0.4687000    
 N    1.282600      -1.197300      0.9635000    
 N    2.999400     -0.1765000       1.967100    
 N    1.393200     -0.1326000      -1.218300    
 N    3.221700       1.479700      -1.332700    
 C   -1.225500      -1.477700       1.069100    
 C   -2.134800      -2.382500      0.2626000    
 C   0.1428000      -2.088800      0.7822000    
 C   -1.280300      -2.768000     -0.9467000    
 C   -1.547100      -1.904900      -2.172000    
 C    1.811500     -0.3351000      4.0100001E-02
 C    2.034400      -1.061500       2.105100    
 C   -2.527800      0.4553000      0.7100000    
 C    2.871900      0.2854000      0.6811000    
 C   -2.451100       1.849000      0.1296000    
 C   -3.785000       2.586600      0.2333000    
 C    3.589000       1.224200     -5.3800002E-02
 C   -3.679900       4.006500     -0.3215000    
 C    2.162200      0.7956000      -1.828200    
 C   -4.995100       4.756700     -0.1848000    
 C    5.302000       2.839000     -0.3907000    
 H   -1.423500      -1.471400       2.147500    
 H   -3.096600      -1.977700     -5.8100000E-02
 H   0.3158000      -2.961400       1.424900    
 H   -1.395900      -3.826700      -1.206500    
 H   -1.335500     -0.8474000      -1.991200    
 H   -2.585000      -2.002300      -2.503400    
 H   -2.927700      -3.268600       1.809400    
 H    1.828300      -1.632200       3.000400    
 H   -1.677900       2.401500      0.6753000    
 H   -2.155900       1.766300     -0.9225000    
 H   0.2172000      -2.242600      -2.918300    
 H   -4.558600       2.031000     -0.3114000    
 H   -4.104300       2.624100       1.282500    
 H   -2.896300       4.557900      0.2112000    
 H   -3.391500       3.972400      -1.378500    
 H    1.895900       1.025200      -2.854300    
 H   -5.795400       4.247800     -0.7315000    
 H   -5.293400       4.837700      0.8653000    
 H   -4.897800       5.769000     -0.5892000    
 H    4.612800       3.634900     -0.6925000    
 H    5.722600       2.336500      -1.268100    
 H    6.125900       3.297200      0.1643000    


%chk=000129338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129338

0 1
O 0.150126 -2.962325 -0.362325
O -1.397624 -0.286835 0.495418
O -2.544280 -3.841973 0.849920
O -0.038944 -2.112762 -3.005873
O -3.446918 0.023152 1.564704
O 4.273426 2.167625 0.318384
N 1.134233 -1.214601 0.950945
N 2.628295 0.201333 1.985518
N 1.522741 -0.497007 -1.421680
N 3.186144 1.282954 -1.588308
C -1.381191 -1.673571 1.004697
C -2.197939 -2.635022 0.091965
C 0.067972 -2.232588 0.886854
C -1.201923 -3.028295 -1.010922
C -1.260290 -2.075498 -2.237542
C 1.713740 -0.453875 -0.070528
C 1.727450 -0.777407 2.150294
C -2.515673 0.492538 0.874811
C 2.637651 0.418234 0.596888
C -2.375131 1.903174 0.342842
C -3.690385 2.708199 0.380274
C 3.375099 1.301415 -0.240252
C -3.487546 4.163055 -0.098563
C 2.285702 0.396250 -2.109500
C -4.797455 4.979420 -0.080540
C 5.024538 3.050491 -0.608359
H -1.763879 -1.682154 2.039749
H -3.100539 -2.132224 -0.305609
H 0.247730 -2.931651 1.727508
H -1.328587 -4.080584 -1.310304
H -1.487083 -1.041287 -1.895739
H -2.078949 -2.411029 -2.901389
H -3.285091 -3.632530 1.474593
H 1.461893 -1.216476 3.110466
H -1.599329 2.411130 0.952519
H -1.960015 1.851598 -0.681294
H 0.655272 -1.637987 -2.431262
H -4.448634 2.210256 -0.255294
H -4.097124 2.702407 1.409143
H -2.732823 4.659539 0.545227
H -3.067525 4.159063 -1.125115
H 2.169247 0.399475 -3.196657
H -5.559883 4.521743 -0.738460
H -5.220903 5.028139 0.940059
H -4.630724 6.015453 -0.427045
H 4.330045 3.689469 -1.177971
H 5.621163 2.447166 -1.312046
H 5.667020 3.645704 0.055199


