%chk=000158379.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158379

0 1
 O    2.086400     -0.5340000     -0.9550000    
 O    1.196800       2.090100       1.334800    
 O    3.376200       2.147200     -0.2875000    
 O    3.970500      -2.564500     -0.5191000    
 O   -1.073000       2.361300     -0.6664000    
 N  -0.1276000     -0.4165000     -0.1096000    
 N   -3.211500       1.571400     -0.3823000    
 N   -4.116500      0.5724000     -0.1166000    
 N   -4.493800      -1.712700      0.4028000    
 C    1.110100      0.3261000     -0.3368000    
 C    1.757000      0.8564000      0.9336000    
 C    3.207100      0.9735000      0.5074000    
 C    3.384500     -0.2528000     -0.3823000    
 C    3.846200      -1.482500      0.3872000    
 C   -1.402500      8.2999997E-02 -0.1516000    
 C  -0.1880000      -1.758000      0.1866000    
 C   -2.283000     -0.9383000      0.1177000    
 C   -1.514700      -2.108700      0.3331000    
 C   -1.828700       1.423900     -0.4220000    
 C   -3.695500     -0.6372000      0.1260000    
 H   0.8958000       1.115900      -1.062500    
 H    1.659300      0.1418000       1.759000    
 H    3.903700       1.035100       1.348400    
 H    4.062500     -6.3299999E-02  -1.222300    
 H    3.130800      -1.777300       1.161200    
 H    4.820000      -1.311500      0.8552000    
 H   0.7076000      -2.357300      0.2773000    
 H    1.327200       2.728400      0.6131000    
 H    4.302900       2.166700     -0.5820000    
 H   -1.872700      -3.100700      0.5704000    
 H    3.100300      -2.703600     -0.9307000    
 H   -3.634100       2.477400     -0.5583000    
 H   -4.131200      -2.642000      0.5867000    
 H   -5.502700      -1.609700      0.4327000    


%chk=000158379-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158379

0 1
O 2.269184 -0.604387 -1.106076
O 1.521359 2.556154 0.416259
O 3.898834 1.994931 -0.417047
O 3.610552 -2.865854 -0.083968
O -0.973532 2.505080 -0.305719
N 0.008620 -0.470174 -0.326543
N -3.068165 1.555093 0.072892
N -4.022114 0.562486 0.299558
N -4.484542 -1.704614 0.582520
C 1.229155 0.317581 -0.678229
C 1.791815 1.143645 0.528570
C 3.337677 0.952474 0.424042
C 3.509421 -0.406889 -0.264389
C 3.622597 -1.612819 0.677845
C -1.265200 0.063085 -0.128692
C -0.068823 -1.856391 -0.186121
C -2.159722 -1.011256 0.129058
C -1.391484 -2.222877 0.095893
C -1.695282 1.443081 -0.139720
C -3.559537 -0.705774 0.339186
H 0.967821 0.990737 -1.514949
H 1.406597 0.720285 1.478762
H 3.805838 0.970391 1.429590
H 4.348494 -0.381684 -0.978576
H 2.795190 -1.601651 1.421072
H 4.584418 -1.591186 1.218465
H 0.813813 -2.475602 -0.315888
H 0.539519 2.683301 0.142193
H 3.253312 2.759996 -0.343781
H -1.737078 -3.243611 0.249316
H 3.008398 -2.733732 -0.862875
H -3.457144 2.500939 0.073875
H -4.211159 -2.681010 0.601729
H -5.459434 -1.449748 0.719947


