%chk=000057291.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057291

0 1
 O   -2.031500     -0.2238000      6.4499997E-02
 O    2.634200       1.307500       1.339400    
 N    4.257900     -0.2451000     -0.2396000    
 N   0.7849000      0.1431000      0.5536000    
 C  -0.2283000       1.078600      0.9870000    
 C    2.972600     -0.7848000      0.1805000    
 C    4.075400      0.7996000      -1.250000    
 C    5.120200      -1.308100     -0.7611000    
 C    2.141600      0.3374000      0.7678000    
 C   -1.418400       1.059900      3.0200001E-02
 C  -0.6628000      0.7522000       2.410100    
 C    5.410500       1.370800      -1.696400    
 C    5.380100      -2.370900      0.2930000    
 C   -3.376700     -0.2714000     -0.1896000    
 C   -3.952200      0.6729000      -1.032600    
 C   -4.153700      -1.263500      0.3982000    
 C   -5.322200      0.6248000      -1.290600    
 C   -5.523600      -1.311600      0.1400000    
 C   -6.107800     -0.3674000     -0.7045000    
 H   0.2105000       2.083600      0.9774000    
 H    3.070300      -1.511900      0.9936000    
 H    2.444100      -1.265400     -0.6521000    
 H    3.536400      0.4183000      -2.127200    
 H    3.496400       1.645400     -0.8671000    
 H    4.699000      -1.773000      -1.661400    
 H    6.109100     -0.9183000      -1.021600    
 H   0.4721000     -0.7246000      0.1273000    
 H   -2.110500       1.851200      0.3478000    
 H   -1.080500       1.265500     -0.9928000    
 H   0.1819000      0.8409000       3.102600    
 H   -1.042800     -0.2718000       2.496800    
 H   -1.445600       1.438700       2.748900    
 H    5.241000       2.297600      -2.256700    
 H    5.951600      0.7000000      -2.370900    
 H    6.052600       1.620900     -0.8447000    
 H    6.193600      -3.026100     -3.8699999E-02
 H    4.511100      -3.014400      0.4613000    
 H    5.685800      -1.929300       1.247700    
 H   -3.372400       1.443100      -1.531800    
 H   -3.702600      -2.000200       1.056800    
 H   -5.776500       1.355500      -1.953400    
 H   -6.135400      -2.084400      0.5962000    
 H   -7.174200     -0.4059000     -0.9069000    


%chk=000057291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057291

0 1
O -2.099207 0.055609 0.597505
O 2.609742 1.555291 1.044228
N 4.057739 -0.428339 -0.531696
N 0.678436 0.280640 0.822829
C -0.202022 1.270472 1.468878
C 2.785427 -0.752708 0.118735
C 3.899729 0.425014 -1.738586
C 4.912533 -1.621467 -0.751307
C 2.045606 0.478111 0.691107
C -1.496013 1.402665 0.654019
C -0.468205 0.919087 2.951397
C 5.171081 1.228037 -2.073035
C 5.492999 -2.206969 0.551243
C -3.321746 -0.095408 -0.082751
C -4.005778 0.961407 -0.732763
C -3.857677 -1.407086 -0.086675
C -5.231045 0.690753 -1.386476
C -5.078764 -1.659293 -0.742461
C -5.774083 -0.612368 -1.397017
H 0.338917 2.234910 1.420500
H 2.989304 -1.423059 0.975595
H 2.076757 -1.311148 -0.555127
H 3.580693 -0.178645 -2.628069
H 3.090585 1.146400 -1.528703
H 4.365199 -2.423123 -1.314961
H 5.754189 -1.308635 -1.394037
H 0.246838 -0.594886 0.516029
H -2.194799 2.107230 1.147727
H -1.277365 1.752714 -0.374479
H 0.488902 0.835543 3.493336
H -1.015273 -0.035625 3.037264
H -1.070856 1.709081 3.436890
H 4.986479 1.892933 -2.937467
H 6.026389 0.577678 -2.331811
H 5.454480 1.844698 -1.203479
H 6.204233 -3.021424 0.319643
H 4.713261 -2.630624 1.210615
H 6.024447 -1.419117 1.112225
H -3.603856 1.978785 -0.738580
H -3.309893 -2.203340 0.427264
H -5.759407 1.508711 -1.889185
H -5.489771 -2.674960 -0.742002
H -6.723007 -0.811944 -1.905363


