%chk=000090016.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090016

0 1
 O  -0.5305000      -2.020300     -0.6028000    
 O    3.890900     -0.8868000      0.4845000    
 O   -5.337000     -0.7332000       1.209600    
 N   -1.075200      0.9195000     -0.5105000    
 N    2.341000      0.8338000      0.2589000    
 N    1.690000      -1.477400     -5.8699999E-02
 N   0.4943000       2.432300     -4.3099999E-02
 C   7.8800000E-02  0.2205000     -0.3005000    
 C   -2.375500      0.3893000     -0.8440000    
 C    1.022500       1.169500     -1.6400000E-02
 C   -3.238800      6.2300000E-02  0.3740000    
 C   0.3305000      -1.183300     -0.3460000    
 C  -0.7744000       2.246700     -0.3444000    
 C    2.731700     -0.5287000      0.2470000    
 C   -4.630700     -0.4399000      1.0900000E-02
 C    3.310500       1.881000      0.5560000    
 C    2.072000      -2.885500     -7.4500002E-02
 H   -2.242700     -0.4884000      -1.483800    
 H   -2.879300       1.144200      -1.460700    
 H   -3.333900      0.9481000       1.015900    
 H   -2.735700     -0.6877000      0.9982000    
 H   -1.515300       3.027300     -0.4531000    
 H   -4.570200      -1.352200     -0.5909000    
 H   -5.186400      0.3208000     -0.5462000    
 H    4.302500       1.466100      0.7514000    
 H    2.978200       2.432700       1.440800    
 H    3.374200       2.559900     -0.2999000    
 H    1.237600      -3.549100     -0.3117000    
 H    2.474600      -3.149000      0.9088000    
 H    2.865300      -3.023600     -0.8161000    
 H   -6.218700      -1.050800      0.9501000    


%chk=000090016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090016

0 1
O -0.596091 -2.032272 -0.660734
O 3.833998 -0.952164 0.550578
O -5.234157 -0.828385 1.295477
N -1.113273 1.048537 -0.601034
N 2.333791 0.831739 0.274801
N 1.622633 -1.457928 -0.043229
N 0.561234 2.524827 -0.086853
C 0.035808 0.285967 -0.334474
C -2.458653 0.518039 -0.909071
C 1.038857 1.222076 -0.029536
C -3.217045 0.080432 0.362885
C 0.260745 -1.136079 -0.375621
C -0.746287 2.373006 -0.432155
C 2.669987 -0.542621 0.279075
C -4.561453 -0.566721 0.014632
C 3.364538 1.839345 0.592157
C 2.010073 -2.887525 -0.031218
H -2.330168 -0.345834 -1.583835
H -3.013473 1.308635 -1.447657
H -3.398563 0.950647 1.020852
H -2.608050 -0.650128 0.923529
H -1.444120 3.195688 -0.569654
H -4.391084 -1.508252 -0.550680
H -5.171571 0.118393 -0.616316
H 4.304570 1.303123 0.786627
H 3.065323 2.419816 1.480876
H 3.487908 2.533113 -0.256118
H 1.112637 -3.472030 -0.280809
H 2.391150 -3.166321 0.964604
H 2.808220 -3.070257 -0.769231
H -6.067184 -1.338766 1.134930


