%chk=000097805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097805

0 1
 O  -0.3776000      -2.796800      0.4828000    
 O  -0.7040000      -1.789900      -1.558700    
 O   -3.354900       1.301100       1.009600    
 N   -1.688900      0.5000000     -0.4060000    
 C   -1.179800     -0.5392000      0.4535000    
 C  -7.9999998E-02 -1.8300001E-02   1.390500    
 C    1.170400      0.4640000      0.6904000    
 C  -0.7265000      -1.762500     -0.3324000    
 C    2.197400     -0.4320000      0.4457000    
 C    1.262700       1.791600      0.3077000    
 C   -2.737800       1.334500     -5.1800001E-02
 C    3.350800      1.2700000E-02 -0.2004000    
 C    2.416100       2.236200     -0.3386000    
 C    3.460200       1.346700     -0.5926000    
 C   -3.051200       2.346300      -1.121300    
 C   4.3299999E-02  -3.994400     -0.1784000    
 H   -2.021600     -0.8779000       1.072000    
 H  -0.4788000      0.8013000       2.004100    
 H   0.1994000     -0.8001000       2.109700    
 H   -1.238300      0.6340000      -1.306900    
 H    2.128100      -1.471400      0.7519000    
 H   0.4564000       2.492900      0.5018000    
 H    4.164500     -0.6795000     -0.3968000    
 H    2.501400       3.275100     -0.6438000    
 H    4.358400       1.693100      -1.095400    
 H   -4.003100       2.835800     -0.8978000    
 H   -2.258000       3.098200      -1.154300    
 H   -3.130000       1.856200      -2.096000    
 H  -0.7666000      -4.389100     -0.7992000    
 H   0.2925000      -4.735000      0.5862000    
 H   0.9348000      -3.799800     -0.7822000    


%chk=000097805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097805

0 1
O -0.393524 -2.806556 0.467512
O -0.698995 -1.774535 -1.596712
O -2.961013 1.559510 1.188465
N -1.742539 0.457286 -0.446216
C -1.240747 -0.555734 0.485444
C -0.119210 -0.020939 1.450121
C 1.140313 0.442688 0.739626
C -0.762673 -1.745677 -0.344801
C 2.231266 -0.444127 0.541759
C 1.248873 1.768680 0.244697
C -2.598447 1.457713 -0.026905
C 3.394976 -0.022703 -0.139970
C 2.410364 2.193637 -0.439283
C 3.486991 1.298058 -0.636705
C -3.073558 2.422529 -1.108092
C 0.106617 -4.014404 -0.238584
H -2.075186 -0.882333 1.136733
H -0.587171 0.804123 2.015318
H 0.108519 -0.835343 2.160468
H -1.472451 0.352438 -1.428437
H 2.169800 -1.466029 0.937153
H 0.424175 2.471918 0.411334
H 4.230059 -0.719114 -0.278095
H 2.479575 3.222684 -0.810262
H 4.389644 1.628033 -1.163154
H -4.176474 2.407290 -1.143052
H -2.771245 3.449053 -0.837061
H -2.679057 2.186350 -2.111103
H -0.683074 -4.425083 -0.889216
H 0.366826 -4.718249 0.563598
H 0.986664 -3.757365 -0.851280


