%chk=000088702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088702

0 1
 O   0.7047000      0.5716000     -0.3548000    
 O    4.320400      -1.375800     -0.3162000    
 O    4.171900       1.396600      0.4885000    
 O  -0.4643000      -1.445900     -0.4411000    
 O    1.856800      -2.803100      0.4413000    
 O   0.4004000       3.269800      7.3100001E-02
 N   -5.499600      0.7715000      0.3681000    
 C    3.161000     -0.7803000      0.2682000    
 C    3.117800      0.6875000     -0.1573000    
 C    1.913300      -1.529100     -0.1999000    
 C    1.776700       1.322500      0.2179000    
 C   0.6392000     -0.7602000      0.1500000    
 C    1.664500       2.752800     -0.3003000    
 C   -1.702500     -0.8996000     -0.2417000    
 C   -2.190800     -0.7487000       1.052500    
 C   -2.464800     -0.5003000      -1.335100    
 C   -3.454000     -0.1933000       1.255500    
 C   -3.728100      5.5300001E-02  -1.132000    
 C   -4.222700      0.2088000      0.1632000    
 H    3.280600     -0.8712000       1.354900    
 H    3.289000      0.7586000      -1.238500    
 H    1.966600      -1.719100      -1.278400    
 H    1.642300       1.345500       1.308000    
 H   0.5111000     -0.7396000       1.240200    
 H    1.730900       2.789600      -1.392700    
 H    2.439500       3.398800      0.1221000    
 H    5.092900     -0.8699000     -1.0700000E-02
 H    4.024500       1.345300       1.448300    
 H    1.810800      -2.656100       1.401500    
 H  -0.2796000       2.683800     -0.3012000    
 H   -1.614800      -1.072700       1.914300    
 H   -2.083300     -0.6174000      -2.345400    
 H   -3.829900     -8.2400002E-02   2.269400    
 H   -4.317300      0.3651000      -1.991400    
 H   -6.057800       1.061800     -0.4236000    
 H   -5.859500      0.8818000       1.306800    


%chk=000088702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088702

0 1
O 0.869660 0.535713 -0.659142
O 4.255240 -1.379857 0.830862
O 4.462193 1.460629 0.095118
O -0.448253 -1.307492 -0.068958
O 1.658084 -2.249751 1.692143
O 0.668983 3.194894 -1.491121
N -5.854247 0.338852 0.367774
C 3.104279 -0.472875 0.810363
C 3.277029 0.639848 -0.236485
C 1.871815 -1.361333 0.553030
C 1.976775 1.462512 -0.330054
C 0.616331 -0.490362 0.392819
C 1.957628 2.504690 -1.454574
C -1.780657 -0.812586 0.065232
C -2.800545 -1.777588 -0.074050
C -2.112523 0.541199 0.296485
C -4.151244 -1.396841 0.022573
C -3.467672 0.920116 0.404148
C -4.510425 -0.038677 0.268423
H 2.982087 0.004256 1.813087
H 3.523601 0.203710 -1.219817
H 2.028769 -1.931246 -0.385769
H 1.763534 1.962130 0.645777
H 0.358916 0.024248 1.347146
H 2.174723 2.000005 -2.419491
H 2.717967 3.281352 -1.276548
H 5.079020 -0.826259 0.829652
H 4.273790 1.980380 0.920508
H 2.495369 -2.766350 1.820605
H -0.029752 2.496943 -1.596927
H -2.520088 -2.820262 -0.251296
H -1.333348 1.305920 0.370443
H -4.935493 -2.155645 -0.086674
H -3.717227 1.973080 0.583014
H -6.112499 1.304789 0.542801
H -6.595920 -0.346139 0.262399


