%chk=000044785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044785

0 1
 O    2.746200       1.353600       1.113800    
 O   -2.760000       1.294600       1.298000    
 N    1.733200      0.3954000       1.145300    
 N   -1.457100      0.8307000       1.115900    
 C  -3.5599999E-02 -0.6919000     -0.1417000    
 C   0.1649000      -1.961600      0.6999000    
 C    1.105000      0.3221000      9.9999998E-03
 C   -1.398500     -8.3899997E-02  0.1946000    
 C    1.415500       1.190600      -1.199600    
 C   -2.599900     -0.6041000     -0.5800000    
 C    1.404000      -2.744700      0.2871000    
 C    2.462000      0.5242000      -2.073500    
 C   -2.779600      0.1749000      -1.869700    
 H  -6.3100003E-02 -0.9848000      -1.199200    
 H   0.2337000      -1.712400       1.766100    
 H  -0.7087000      -2.617000      0.5980000    
 H   0.4934000       1.337700      -1.772600    
 H    1.752000       2.183200     -0.8855000    
 H   -3.507500     -0.5522000      2.8500000E-02
 H   -2.438400      -1.662300     -0.8120000    
 H    1.475600      -3.666900      0.8729000    
 H    1.356100      -3.021400     -0.7710000    
 H    2.323500      -2.176000      0.4514000    
 H    3.397900      0.3765000      -1.524900    
 H    2.122000     -0.4579000      -2.417900    
 H    2.673400       1.140600      -2.952500    
 H   -2.945700       1.237900      -1.666700    
 H   -3.639700     -0.2061000      -2.428700    
 H   -1.894300      9.4200000E-02  -2.508800    
 H    3.109700       1.283800       2.012600    
 H   -2.636100       1.955800       1.999600    


%chk=000044785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044785

0 1
O 3.050115 1.129614 1.062669
O -2.730463 1.550007 0.915653
N 1.985608 0.100688 1.067567
N -1.351756 1.022239 0.805141
C 0.036891 -0.744881 -0.097831
C 0.147799 -1.998853 0.823447
C 1.182469 0.260167 0.039925
C -1.332490 -0.076894 0.082083
C 1.339715 1.326496 -1.027996
C -2.542125 -0.707009 -0.582173
C 1.263139 -2.975722 0.395196
C 2.425238 0.941524 -2.070394
C -2.892992 0.004333 -1.918636
H 0.060388 -1.104359 -1.152783
H 0.322738 -1.652959 1.857323
H -0.825554 -2.528006 0.815388
H 0.366940 1.483500 -1.527796
H 1.628237 2.276369 -0.543700
H -3.409683 -0.634727 0.098400
H -2.340292 -1.777807 -0.770090
H 1.292009 -3.853565 1.066445
H 1.100021 -3.345510 -0.635527
H 2.249964 -2.484580 0.436475
H 3.408178 0.842184 -1.579966
H 2.186403 -0.015544 -2.570780
H 2.502474 1.721034 -2.849984
H -3.147461 1.061173 -1.732802
H -3.760741 -0.484321 -2.397076
H -2.047444 -0.033604 -2.630357
H 3.531971 0.918858 1.902803
H -2.595393 2.332757 1.508776


