%chk=000028079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028079

0 1
 O  -0.6151000      0.7479000      -2.098700    
 O   -4.703000       2.588500      0.2438000    
 O   -4.822200      -2.168600      0.7823000    
 O   -6.022200      0.3074000       1.095900    
 N    1.352400     -0.7987000     -0.9572000    
 N    3.999400     -0.2371000     -4.2199999E-02
 N    5.689800       1.404900      0.3983000    
 C    2.260700      -1.892800     -0.5933000    
 C    1.611400      0.3694000     -0.1061000    
 C    3.723000      -1.477200     -0.7736000    
 C    3.051300      0.8606000     -0.2714000    
 C  -4.0800001E-02  -1.225300     -0.8322000    
 C    5.317600      9.1799997E-02  0.2930000    
 C  -0.9487000     -8.6599998E-02  -1.260000    
 C   -2.299800      1.8500000E-02 -0.6327000    
 C    6.230700     -0.9486000      0.5138000    
 C   -2.925800      -1.135200     -0.2203000    
 C   -2.865500       1.264700     -0.4916000    
 C    7.544100     -0.6377000      0.8478000    
 C    6.975000       1.668300      0.7245000    
 C   -4.127400       1.362700      9.4700001E-02
 C   -4.187600      -1.037200      0.3660000    
 C    7.931500      0.6933000      0.9572000    
 C   -4.788300      0.2117000      0.5236000    
 C   -5.518100       3.056200     -0.8290000    
 C   -5.666200      -2.823300     -0.1627000    
 C   -6.156000     -0.1775000       2.429900    
 H    2.093600      -2.207400      0.4460000    
 H    2.070200      -2.763700      -1.232400    
 H   0.9659000       1.221400     -0.3398000    
 H    1.434400      0.1189000      0.9493000    
 H    3.943400      -1.324600      -1.838200    
 H    4.311500      -2.334300     -0.4415000    
 H    3.201800       1.272700      -1.277300    
 H    3.205400       1.672400      0.4502000    
 H  -0.2575000      -1.519700      0.2014000    
 H  -0.2428000      -2.072400      -1.497800    
 H    5.974700      -1.999700      0.4827000    
 H   -2.481500      -2.117100     -0.3501000    
 H   -2.353200       2.165300     -0.8175000    
 H    8.263200      -1.430300       1.032000    
 H    7.225900       2.721300      0.7979000    
 H    8.949300      0.9589000       1.218600    
 H   -6.360100       2.377600     -0.9980000    
 H   -5.910900       4.039800     -0.5572000    
 H   -4.926300       3.156300      -1.744400    
 H   -6.470900      -2.156700     -0.4886000    
 H   -5.084400      -3.160700      -1.026300    
 H   -6.110700      -3.696500      0.3226000    
 H   -5.211500     -0.1351000       2.983500    
 H   -6.882400      0.4566000       2.946900    
 H   -6.546400      -1.198900       2.420500    


%chk=000028079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028079

0 1
O -0.447916 1.747808 -1.067471
O -5.389616 2.470549 -0.450515
O -4.609331 -2.207076 0.995788
O -6.440698 -0.004662 0.599208
N 1.526804 -0.249307 -0.649843
N 4.396401 -0.136898 -0.411192
N 6.129573 0.917687 0.781107
C 2.337603 -1.489128 -0.657496
C 2.173717 0.796239 0.188727
C 3.758330 -1.205840 -1.192540
C 3.587667 1.098766 -0.331534
C 0.128499 -0.510947 -0.295119
C 5.702826 -0.184707 0.072218
C -0.844283 0.643711 -0.598951
C -2.301381 0.412786 -0.301919
C 6.575548 -1.305981 -0.136344
C -2.798293 -0.823491 0.190171
C -3.206033 1.476513 -0.547701
C 7.867904 -1.274099 0.414799
C 7.386557 0.919483 1.298058
C -4.581529 1.336491 -0.275553
C -4.171763 -0.976313 0.454571
C 8.300878 -0.146020 1.156449
C -5.074142 0.111308 0.265717
C -6.617532 2.313161 -1.262709
C -5.605781 -2.938243 0.176938
C -6.697991 -0.126260 2.058780
H 2.426127 -1.936293 0.366873
H 1.850447 -2.233075 -1.316584
H 1.567042 1.713497 0.129369
H 2.234142 0.467974 1.258042
H 3.683201 -0.904231 -2.259193
H 4.345807 -2.135137 -1.136655
H 3.503344 1.549182 -1.342472
H 4.113749 1.800942 0.332055
H -0.001873 -0.778165 0.789295
H -0.219673 -1.393720 -0.868476
H 6.264631 -2.174206 -0.722682
H -2.150137 -1.683868 0.378088
H -2.826863 2.425512 -0.937718
H 8.540099 -2.125582 0.258655
H 7.663704 1.826157 1.850249
H 9.300999 -0.091290 1.594827
H -7.286362 1.553779 -0.825866
H -7.093141 3.305297 -1.250402
H -6.350569 2.038524 -2.301235
H -6.507723 -2.323668 0.009266
H -5.159288 -3.227083 -0.793307
H -5.853711 -3.839018 0.758334
H -6.371539 0.795812 2.572561
H -7.787357 -0.248680 2.154072
H -6.170173 -1.003989 2.471562


