%chk=000064046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064046

0 1
 O   -1.667000      -1.320500      0.4556000    
 O   0.8479000      -1.394100       1.971100    
 N   0.9926000      -2.183500     -0.2176000    
 N    2.654100      -1.353500      -1.702200    
 C  -0.1303000      -3.092900     -4.9600001E-02
 C   -1.445900      -2.427000     -0.4093000    
 C    2.531900     -0.4979000      0.5985000    
 C    1.381300      -1.391200      0.8659000    
 C   -2.822500     -0.6089000      0.2652000    
 C   -2.786500      0.7455000     -5.2000001E-02
 C    3.119300     -0.5169000     -0.6738000    
 C    1.648500      -2.119300      -1.433500    
 C   -1.527100       1.448400     -0.1913000    
 C    3.019400      0.3474000       1.600600    
 C   -3.978900       1.444500     -0.2400000    
 C   -4.039700      -1.270900      0.3964000    
 C    4.206400      0.3272000     -0.9270000    
 C    4.103300       1.182100       1.331800    
 C    4.696000       1.172300      7.0400000E-02
 C   -5.201600      0.7858000     -0.1098000    
 C   -5.232000     -0.5718000      0.2083000    
 C  -0.9467000       2.061400      0.9179000    
 C  -0.8986000       1.509700      -1.433900    
 C   0.2658000       2.737800      0.7841000    
 C   0.3141000       2.186200      -1.567500    
 C   0.8962000       2.800200     -0.4585000    
 H  -0.1594000      -3.431900      0.9922000    
 H   2.1900000E-02  -3.969400     -0.6895000    
 H   -2.245800      -3.168300     -0.3073000    
 H   -1.424300      -2.076000      -1.448500    
 H    1.241900      -2.791800      -2.204800    
 H    2.569900      0.3704000       2.589300    
 H   -3.974600       2.503400     -0.4882000    
 H   -4.086400      -2.322400      0.6639000    
 H    4.679400      0.3320000      -1.906100    
 H    4.485300       1.841500       2.105600    
 H    5.539700       1.823900     -0.1375000    
 H   -6.130100       1.330300     -0.2549000    
 H   -6.184300      -1.083300      0.3144000    
 H   -1.424000       2.020700       1.894000    
 H   -1.337600       1.034200      -2.307600    
 H   0.7203000       3.214300       1.647800    
 H   0.8066000       2.232600      -2.534400    
 H    1.841100       3.325400     -0.5624000    


%chk=000064046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064046

0 1
O -1.633349 -1.097345 0.347995
O 1.404426 -0.880240 2.205863
N 1.038821 -2.282605 0.351350
N 2.451571 -2.257553 -1.610358
C -0.148077 -2.877384 1.008361
C -1.468988 -2.549482 0.301992
C 2.871907 -0.678540 0.268171
C 1.746674 -1.239341 1.040427
C -2.799423 -0.536889 -0.214161
C -2.856932 0.892852 -0.281293
C 3.186851 -1.200646 -1.030035
C 1.439013 -2.728475 -0.909229
C -1.751813 1.792112 0.170537
C 3.643678 0.380005 0.813785
C -4.038885 1.458519 -0.831795
C -3.861456 -1.337504 -0.699999
C 4.274481 -0.646685 -1.758841
C 4.714910 0.918041 0.082276
C 5.028825 0.401779 -1.207050
C -5.107245 0.670990 -1.310901
C -5.014465 -0.734814 -1.248408
C -0.949156 1.509905 1.310599
C -1.499500 3.001836 -0.539525
C 0.057046 2.407070 1.728217
C -0.495684 3.899924 -0.120389
C 0.287686 3.608767 1.020772
H -0.160841 -2.473992 2.034665
H -0.030853 -3.976352 1.056777
H -2.291113 -3.059691 0.846352
H -1.475030 -2.897806 -0.752186
H 0.848245 -3.551353 -1.328430
H 3.376938 0.756572 1.806518
H -4.126192 2.550020 -0.856783
H -3.802147 -2.428820 -0.656732
H 4.495401 -1.060802 -2.747077
H 5.309508 1.736537 0.501319
H 5.865163 0.826267 -1.773242
H -6.002288 1.151217 -1.719367
H -5.832173 -1.364617 -1.615427
H -1.100600 0.584228 1.868751
H -2.072835 3.225661 -1.446672
H 0.663518 2.152903 2.604320
H -0.317293 4.818646 -0.690922
H 1.071277 4.302784 1.345577


