%chk=000020045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020045

0 1
 O    1.165100       4.143700      0.6977000    
 O   -4.830500     -0.2837000      0.5056000    
 N   0.5644000       2.257800     -0.5622000    
 N   -2.609100     -0.6874000     -0.1637000    
 C  -0.2630000     -7.6700002E-02 -0.3108000    
 C    1.566300      -1.926100      0.2220000    
 C   9.2200004E-02  -1.452900      0.3218000    
 C   0.7864000      0.9770000      0.1261000    
 C    2.528500     -0.7830000      0.6051000    
 C    2.229700      0.5302000     -0.1130000    
 C   -1.655100      0.3368000      0.2269000    
 C  -0.3938000     -0.1801000      -1.844400    
 C    1.765400      -3.090100       1.220000    
 C    1.907400      -2.477300      -1.174500    
 C   0.8659000       3.194500      7.0799999E-02
 C   -3.719900     -0.4826000      0.1726000    
 H  -0.5577000      -2.240000     -8.3899997E-02
 H  -0.1565000      -1.393900       1.392200    
 H   0.6682000       1.112100       1.214800    
 H    3.566500      -1.076800      0.4039000    
 H    2.467600     -0.6010000       1.686700    
 H    2.926000       1.292600      0.2591000    
 H    2.439300      0.4380000      -1.184400    
 H   -1.948100       1.314100     -0.1816000    
 H   -1.622800      0.4395000       1.321000    
 H  -0.9221000      -1.089600      -2.151100    
 H  -0.9457000      0.6732000      -2.256700    
 H   0.5755000     -0.1815000      -2.346500    
 H    2.797800      -3.457600       1.200600    
 H    1.547500      -2.777300       2.247500    
 H    1.105100      -3.931600      0.9815000    
 H    2.889700      -2.965000      -1.172400    
 H    1.172100      -3.223800      -1.494900    
 H    1.952600      -1.701500      -1.939300    


%chk=000020045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020045

0 1
O 1.295826 4.596944 -0.583538
O -5.025611 -1.183995 -0.004272
N 0.552093 2.311134 -0.179294
N -2.693975 -0.485271 0.055425
C -0.254164 -0.039069 -0.189774
C 1.562869 -1.975727 0.210791
C 0.098303 -1.452930 0.372925
C 0.826353 0.966950 0.325581
C 2.555592 -0.858175 0.652521
C 2.268114 0.508917 -0.005236
C -1.617888 0.408755 0.425657
C -0.391311 0.001404 -1.731238
C 1.729255 -3.198198 1.155131
C 1.885811 -2.451886 -1.232795
C 0.993035 3.436848 -0.350287
C -3.875430 -0.775310 0.062358
H -0.606803 -2.186227 -0.062849
H -0.114907 -1.433963 1.464225
H 0.739495 1.004651 1.435708
H 3.593036 -1.171862 0.424374
H 2.495403 -0.742368 1.755515
H 2.979340 1.267745 0.373791
H 2.403895 0.462694 -1.101672
H -1.845320 1.435623 0.078501
H -1.530412 0.436940 1.531860
H -1.139813 -0.739352 -2.061995
H -0.726772 1.001154 -2.061039
H 0.554791 -0.219564 -2.247539
H 2.763840 -3.588497 1.116293
H 1.506932 -2.928308 2.205118
H 1.047771 -4.020062 0.864847
H 2.841864 -3.008925 -1.241249
H 1.097533 -3.129194 -1.610744
H 1.986153 -1.620876 -1.950598


