%chk=000083264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083264

0 1
 O   -2.844200       1.298300     -0.4120000    
 O   -3.026500      -1.318600      0.3903000    
 O   -1.146600       2.045900      0.9581000    
 O   -1.483000      -2.294200      -1.016900    
 N    1.244500      0.6556000      0.1423000    
 N    3.144300     -0.7539000     -0.1441000    
 C    2.635600      0.4809000      0.1081000    
 C   -1.067500     -0.1428000     -2.8899999E-02
 C    4.491200     -0.8681000     -0.1657000    
 C   0.2692000     -0.2730000     -5.0000001E-02
 C    3.435400       1.597200      0.3380000    
 C    5.362600      0.1870000      5.1500000E-02
 C    4.816600       1.439900      0.3074000    
 C   -1.663900       1.189900      0.2560000    
 C   -1.857000      -1.375200     -0.3027000    
 C    5.042800      -2.226800     -0.4432000    
 C   -3.527000       2.547100     -0.2609000    
 C   -3.882800      -2.457400      0.2528000    
 C   -4.812100       2.506300      -1.060100    
 C   -5.131600      -2.238000       1.079800    
 H   0.9240000       1.599400      0.3315000    
 H   0.6905000      -1.254800     -0.2504000    
 H    3.006900       2.574500      0.5378000    
 H    6.438500      5.2000001E-02  2.5100000E-02
 H    5.466400       2.292000      0.4829000    
 H    5.654300      -2.568500      0.3980000    
 H    5.656700      -2.210700      -1.349300    
 H    4.238500      -2.954500     -0.5933000    
 H   -3.754800       2.712500      0.7981000    
 H   -2.888700       3.358900     -0.6269000    
 H   -3.358500      -3.353000      0.6040000    
 H   -4.154400      -2.584300     -0.8011000    
 H   -5.361700       3.446900     -0.9656000    
 H   -4.601500       2.324200      -2.119000    
 H   -5.452200       1.686300     -0.7179000    
 H   -5.811000      -3.090800      0.9964000    
 H   -4.874700      -2.092000       2.134100    
 H   -5.656000      -1.334100      0.7526000    


%chk=000083264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083264

0 1
O -2.944034 1.296724 -0.172772
O -3.122404 -1.342744 0.171089
O -0.844564 2.233437 0.102908
O -1.222174 -2.574889 -0.348505
N 1.268076 0.704253 0.020401
N 3.173082 -0.706512 -0.063180
C 2.674858 0.558699 0.019842
C -1.014951 -0.174450 -0.055126
C 4.527675 -0.881092 -0.066718
C 0.380982 -0.325077 -0.054361
C 3.491327 1.714980 0.104462
C 5.419501 0.222439 0.013795
C 4.888497 1.528906 0.100206
C -1.575624 1.184400 -0.020183
C -1.763033 -1.457441 -0.109888
C 5.033742 -2.305116 -0.160813
C -3.490076 2.689407 -0.152918
C -3.893140 -2.620838 0.126610
C -4.998305 2.558397 -0.337429
C -5.338034 -2.262635 0.460645
H 0.824467 1.646569 0.089932
H 0.806824 -1.330900 -0.119098
H 3.046206 2.712845 0.169802
H 6.500355 0.052013 0.008448
H 5.555390 2.395043 0.163499
H 5.655238 -2.566468 0.715728
H 5.660964 -2.446894 -1.060478
H 4.181986 -3.000189 -0.210856
H -3.217468 3.157727 0.810092
H -3.009198 3.267300 -0.962921
H -3.450221 -3.326127 0.853350
H -3.786354 -3.060372 -0.881917
H -5.466523 3.559681 -0.321179
H -5.236031 2.077132 -1.301372
H -5.439758 1.951680 0.471380
H -5.967212 -3.171274 0.434450
H -5.408977 -1.817331 1.467807
H -5.738788 -1.537184 -0.267933


