%chk=000097889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097889

0 1
 O   -1.607200       1.908900     -0.5394000    
 O   -3.063200     -0.1403000      0.6466000    
 O   -3.532600      -1.074500      -1.428200    
 O    5.567800      0.7654000      0.3776000    
 O    4.985600     -0.9583000     -0.8636000    
 N    4.726600      3.8600001E-02 -0.1727000    
 C    1.043000     -0.5111000      0.1561000    
 C  -0.9848000      0.7746000     -0.1127000    
 C   -1.715500     -0.2536000      0.4829000    
 C   0.3946000      0.6459000     -0.2761000    
 C   0.3121000      -1.539100      0.7517000    
 C   -1.067100      -1.410400      0.9151000    
 C    2.481200     -0.6453000     -1.3200000E-02
 C    3.359400      0.3750000      1.7000000E-03
 C   -3.875000     -0.5884000     -0.3581000    
 C   -1.719600       2.978200      0.3977000    
 C   -5.305400     -0.3657000      3.4499999E-02
 H   0.9394000       1.456200     -0.7551000    
 H   0.8010000      -2.447300       1.096300    
 H   -1.630100      -2.214900       1.380600    
 H    2.814000      -1.674100     -0.1411000    
 H    3.180800       1.424600      0.1804000    
 H  -0.7277000       3.322500      0.7075000    
 H   -2.299100       2.665100       1.271800    
 H   -2.241200       3.806800     -8.9100003E-02
 H   -5.519100     -0.8873000      0.9711000    
 H   -5.961600     -0.7688000     -0.7422000    
 H   -5.498800      0.7050000      0.1366000    


%chk=000097889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097889

0 1
O -1.303164 2.261317 -0.403511
O -3.036568 0.129467 0.337983
O -3.672528 -1.890124 -0.704848
O 5.839807 0.779633 -0.512441
O 5.332100 -1.365914 0.111733
N 4.995014 -0.153024 -0.193719
C 1.180387 -0.442765 0.179136
C -0.806200 1.002845 -0.037081
C -1.637512 -0.113244 0.287873
C 0.587886 0.822612 -0.092061
C 0.329378 -1.530631 0.526953
C -1.066679 -1.369989 0.582145
C 2.622866 -0.679573 0.130188
C 3.587854 0.229681 -0.189662
C -3.987859 -0.807836 -0.186957
C -2.163367 2.971922 0.569980
C -5.373555 -0.238145 -0.006309
H 1.190923 1.696058 -0.357983
H 0.768433 -2.509699 0.747404
H -1.710835 -2.215958 0.828637
H 2.974772 -1.691377 0.374667
H 3.443740 1.275162 -0.464586
H -1.608493 3.147503 1.511156
H -3.087406 2.406838 0.773950
H -2.396471 3.933115 0.088612
H -5.546181 0.022792 1.051707
H -6.121054 -0.971915 -0.339317
H -5.477787 0.688948 -0.596950


