%chk=000159599.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159599

0 1
 O   0.5061000       2.700600      7.2700001E-02
 O   -3.688300      0.3389000      0.4185000    
 O    3.561200     -0.4175000      0.1891000    
 O   -5.642700     -0.8390000      0.5625000    
 N    6.488400      -2.564600      0.7724000    
 C   0.4183000      0.4899000     -0.3811000    
 C  -0.3081000       1.610000      4.8000002E-03
 C    1.754600      0.9380000     -0.5557000    
 C   -1.671300       1.597600      0.2780000    
 C   -1.636100     -0.8137000     -0.2432000    
 C   -2.302100      0.3546000      0.1409000    
 C  -0.2547000     -0.7428000     -0.5078000    
 C    1.753100       2.283300     -0.2687000    
 C    2.916800      0.1250000     -0.9634000    
 C   -2.410100      -2.060200     -0.3523000    
 C   -2.419700       2.818400      0.6908000    
 C    2.802100       3.313700     -0.2606000    
 C   -3.722600      -2.039700     -8.1799999E-02
 C   -1.726900      -3.332400     -0.7623000    
 C   -4.440500     -0.8207000      0.3236000    
 C    4.684500      -1.205700     -0.1717000    
 C    5.338000      -1.733800       1.095400    
 H   0.3098000      -1.620600     -0.8081000    
 H    2.595900     -0.6928000      -1.620000    
 H    3.631300      0.7403000      -1.524100    
 H   -3.214200       3.039500     -2.9500000E-02
 H   -1.769500       3.697300      0.7454000    
 H   -2.865500       2.675000       1.680500    
 H    3.009300       3.653800      -1.279800    
 H    3.730500       2.921100      0.1657000    
 H    2.503200       4.182600      0.3343000    
 H   -4.321500      -2.942700     -0.1531000    
 H  -0.9391000      -3.598300     -4.9500000E-02
 H   -1.285500      -3.233200      -1.759800    
 H   -2.424300      -4.176900     -0.8014000    
 H    4.356200      -2.038700     -0.8054000    
 H    5.397800     -0.5933000     -0.7369000    
 H    5.651200     -0.8966000       1.729200    
 H    4.611100      -2.309900       1.679300    
 H    6.190600      -3.362300      0.2121000    
 H    6.880300      -2.949200       1.630900    


%chk=000159599-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159599

0 1
O 0.377276 3.004303 -0.087327
O -3.581080 0.212210 0.367919
O 3.323748 -0.536346 0.111957
O -5.458274 -1.105408 0.596173
N 5.808373 -3.267615 0.632025
C 0.535474 0.703821 -0.342046
C -0.346600 1.795058 -0.075828
C 1.863803 1.281920 -0.527766
C -1.722290 1.684669 0.166366
C -1.370502 -0.793688 -0.121743
C -2.204955 0.350368 0.130112
C 0.019259 -0.602919 -0.352680
C 1.737397 2.649152 -0.362557
C 3.107562 0.528068 -0.885730
C -1.999036 -2.114876 -0.113200
C -2.623165 2.864087 0.447240
C 2.683618 3.801305 -0.417396
C -3.355518 -2.225521 0.125186
C -1.161772 -3.349525 -0.365697
C -4.230424 -1.087485 0.376872
C 4.513666 -1.343646 -0.197193
C 4.652849 -2.396799 0.911774
H 0.683633 -1.454559 -0.514590
H 3.004936 0.060303 -1.892225
H 3.988001 1.205833 -0.917377
H -3.439251 2.920711 -0.294903
H -2.053014 3.805934 0.425458
H -3.107699 2.761019 1.434528
H 2.439013 4.484985 -1.251530
H 3.718567 3.447389 -0.552644
H 2.637160 4.390691 0.516365
H -3.851108 -3.200136 0.136752
H -0.355678 -3.443433 0.386005
H -0.675989 -3.303674 -1.358485
H -1.777913 -4.262171 -0.325938
H 4.397641 -1.834129 -1.191770
H 5.425638 -0.710961 -0.229752
H 4.826067 -1.872538 1.868275
H 3.681852 -2.934063 1.011449
H 5.666159 -3.956971 -0.109921
H 6.270175 -3.660361 1.453740


