%chk=000063119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063119

0 1
 O    2.287400       1.994300      0.5124000    
 O   -2.244900      -1.969100     -0.5061000    
 N    1.791000     -0.2926000      0.4371000    
 N   -1.785000      0.3249000     -0.4103000    
 N    3.530500      -1.866000      4.6200000E-02
 N   -3.561100       1.865700     -3.0300001E-02
 C   0.3693000     -5.9099998E-02  0.6865000    
 C  -0.3603000      0.1183000     -0.6390000    
 C    2.284800      -1.585000      0.2696000    
 C   -2.307500       1.607700     -0.2374000    
 C    2.636800      0.8253000      0.3740000    
 C   -2.616800     -0.8072000     -0.3678000    
 C    4.061600      0.5239000      0.1190000    
 C   -4.050400     -0.5320000     -0.1332000    
 C    4.447800     -0.8101000     -3.3500001E-02
 C   -4.461300      0.7938000      2.6100000E-02
 C    1.310000      -2.735600      0.3518000    
 C   -1.351600       2.775500     -0.2959000    
 C    5.002800       1.556100      3.3300001E-02
 C   -4.975300      -1.580600     -7.1900003E-02
 C    5.795600      -1.100300     -0.2742000    
 C   -5.817300       1.059000      0.2491000    
 C    6.341900       1.251900     -0.2071000    
 C   -6.322800      -1.301100      0.1507000    
 C    6.738600     -7.4800000E-02 -0.3606000    
 C   -6.744000      1.7100001E-02  0.3114000    
 H  -6.6200003E-02 -0.8803000       1.262700    
 H   0.2604000      0.8313000       1.314300    
 H   6.7400001E-02  0.9503000      -1.205900    
 H  -0.2303000     -0.7636000      -1.275100    
 H   0.4938000      -2.618100     -0.3610000    
 H   0.9081000      -2.813300       1.365800    
 H    1.822800      -3.675400      0.1222000    
 H   -1.881700       3.703500     -5.8400001E-02
 H  -0.9429000       2.872500      -1.305500    
 H  -0.5386000       2.662300      0.4216000    
 H    4.713600       2.596700      0.1503000    
 H   -4.666800      -2.615000     -0.1944000    
 H    6.120100      -2.131000     -0.3963000    
 H   -6.161000       2.082900      0.3761000    
 H    7.076200       2.049300     -0.2745000    
 H   -7.044500      -2.111300      0.1992000    
 H    7.781900     -0.3117000     -0.5478000    
 H   -7.793800      0.2346000      0.4850000    


%chk=000063119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063119

0 1
O 2.083621 1.912487 0.458078
O -2.088445 -1.910286 -0.453875
N 1.796410 -0.415313 0.443366
N -1.800192 0.417408 -0.440005
N 3.606385 -1.949935 0.046825
N -3.609457 1.952962 -0.043832
C 0.353925 -0.168802 0.669251
C -0.357828 0.170249 -0.665982
C 2.320213 -1.718003 0.275303
C -2.323388 1.720368 -0.272278
C 2.612233 0.759484 0.348727
C -2.616521 -0.756988 -0.344962
C 4.038363 0.497075 0.123067
C -4.042504 -0.493898 -0.119148
C 4.486414 -0.855493 -0.025547
C -4.489960 0.858921 0.028978
C 1.376005 -2.893343 0.376930
C -1.378629 2.895240 -0.374206
C 4.962162 1.572714 0.040837
C -4.966742 -1.569116 -0.036373
C 5.868423 -1.104730 -0.257013
C -5.871844 1.108834 0.260454
C 6.322271 1.309996 -0.184080
C -6.326720 -1.305730 0.188559
C 6.772890 -0.033802 -0.333689
C -6.776757 0.038319 0.337642
H -0.108511 -1.055382 1.123306
H 0.267841 0.686659 1.359615
H 0.104888 1.056566 -1.120252
H -0.272222 -0.685388 -1.356195
H 0.470624 -2.780269 -0.245739
H 1.036902 -3.046321 1.419478
H 1.928161 -3.790101 0.062523
H -1.930376 3.792305 -0.059959
H -1.039502 3.047862 -1.416801
H -0.473269 2.781839 0.248453
H 4.582679 2.593064 0.157467
H -4.587696 -2.589672 -0.152630
H 6.191189 -2.143985 -0.369250
H -6.194170 2.148267 0.372306
H 7.039167 2.135364 -0.245485
H -7.043962 -2.130767 0.250382
H 7.835744 -0.232017 -0.510652
H -7.839513 0.237058 0.514607


