%chk=000101014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101014

0 1
 O   0.6355000      -2.236600      0.2839000    
 O    2.258800       1.460600     -0.4024000    
 O    2.636700     -0.4269000      0.8443000    
 N   -2.596300       2.276900     -0.1126000    
 N   -3.750100     -0.3254000     -8.0600001E-02
 C   0.4178000      0.1497000      0.1723000    
 C  -0.1476000      -1.125300      0.1876000    
 C   -1.785200       1.124500     -1.0400000E-02
 C   -2.350700     -0.1506000      4.9000001E-03
 C  -0.4011000       1.274700      7.3399998E-02
 C   -1.531700      -1.275500      0.1040000    
 C    1.860700      0.3283000      0.2593000    
 C    1.090000      -2.816300     -0.9370000    
 C    3.663100       1.741800     -0.3867000    
 H   2.0300001E-02   2.277500      7.4500002E-02
 H   -1.966500      -2.272400      0.1170000    
 H   -2.165400       3.192200     -0.1190000    
 H   -3.601400       2.204100     -0.1705000    
 H   -4.371600      0.4669000     -0.1506000    
 H   -4.138400      -1.259500     -6.5600000E-02
 H    1.664300      -2.092400      -1.523700    
 H   0.2418000      -3.184200      -1.522900    
 H    1.739300      -3.661800     -0.6936000    
 H    4.007600       1.888500      0.6413000    
 H    3.831000       2.664400     -0.9487000    
 H    4.216200      0.9303000     -0.8691000    


%chk=000101014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101014

0 1
O 0.469491 -2.410678 0.313796
O 2.225391 1.649309 -0.168201
O 2.783069 -0.603794 -0.068273
N -2.684934 2.276166 -0.242643
N -3.834629 -0.220763 0.092285
C 0.417425 0.081925 -0.101786
C -0.206945 -1.193632 0.103353
C -1.830378 1.144428 -0.120360
C -2.442120 -0.143830 0.056637
C -0.434142 1.226515 -0.198817
C -1.613631 -1.281819 0.188079
C 1.882177 0.275773 -0.112761
C 1.198359 -2.992917 -0.833112
C 3.675606 1.925393 -0.168714
H 0.044430 2.203675 -0.312248
H -2.048158 -2.277033 0.330847
H -2.244061 3.148983 -0.533915
H -3.404302 2.389879 0.476429
H -4.365338 0.534329 -0.342190
H -4.288172 -1.125741 0.191746
H 2.066671 -2.368741 -1.098963
H 0.513846 -3.117519 -1.695561
H 1.538672 -3.978430 -0.479248
H 4.146335 1.525419 0.745569
H 3.753085 3.021938 -0.205551
H 4.159354 1.464667 -1.047298


