%chk=000038118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038118

0 1
 O   -1.210500       1.594700      -2.374600    
 O   -1.900200     -0.8009000     -0.9597000    
 N   -1.924500       2.041100     -0.2055000    
 N   0.2994000     -0.2942000     -0.3949000    
 C   -4.218100       1.991400       1.570000    
 C   -4.379500       1.919100      5.4000001E-02
 C   -2.869900       1.416900       1.995700    
 C   -3.207400       2.592200     -0.6524000    
 C   -1.712300       2.080000       1.249700    
 C   -1.018500       1.578700      -1.157400    
 C   0.2673000       1.034100     -0.6774000    
 C    1.280600       1.896300     -0.5463000    
 C    2.635000       1.554800     -8.8100001E-02
 C  -0.7922000      -1.142000     -0.5528000    
 C  -0.5590000      -2.569900     -0.2135000    
 C    2.925300       1.589400       1.267900    
 C    3.601500       1.202900      -1.019000    
 C    4.210400       1.264800       1.702800    
 C    4.886600      0.8782000     -0.5842000    
 C   -1.626300      -3.338400      0.2017000    
 C   0.7174000      -3.080100     -0.3244000    
 C    5.190900      0.9093000      0.7768000    
 C   -1.407100      -4.678600      0.5206000    
 C   0.9367000      -4.420300     -5.7000001E-03
 C  -0.1257000      -5.219500      0.4168000    
 H   -4.293600       3.035000       1.899100    
 H   -5.029000       1.439300       2.057800    
 H   -4.437200      0.8676000     -0.2536000    
 H   -5.319100       2.397200     -0.2439000    
 H   -2.735700       1.542500       3.075700    
 H   -2.859800      0.3387000       1.792000    
 H   -3.322700       2.485300      -1.735700    
 H   -3.193200       3.666200     -0.4311000    
 H   -1.633500       3.136300       1.533300    
 H  -0.7748000       1.597000       1.533500    
 H    1.145700       2.947000     -0.7955000    
 H    1.171100     -0.6528000     -1.8100001E-02
 H    2.170100       1.864600       1.999500    
 H    3.377000       1.174800      -2.082100    
 H    4.447400       1.288700       2.762500    
 H    5.650200      0.6012000      -1.305100    
 H   -2.628500      -2.930300      0.2931000    
 H    1.563700      -2.504400     -0.6840000    
 H    6.191400      0.6564000       1.115400    
 H   -2.233900      -5.300800      0.8505000    
 H    1.932700      -4.844400     -9.4499998E-02
 H   4.4700000E-02  -6.263300      0.6633000    


%chk=000038118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038118

0 1
O -1.439332 1.126831 -2.132556
O -1.940356 -0.986429 0.226958
N -1.940838 2.267794 -0.150841
N 0.291201 -0.497204 -0.263101
C -4.432679 2.343427 1.383024
C -4.435831 2.237980 -0.160962
C -3.143955 1.712964 1.962371
C -3.154859 2.870859 -0.752171
C -1.880016 2.345336 1.327109
C -1.175034 1.412385 -0.920444
C 0.141763 0.905110 -0.339622
C 1.160178 1.798874 -0.108757
C 2.572031 1.518833 0.224782
C -0.770266 -1.389770 -0.052867
C -0.419657 -2.846704 -0.149266
C 3.251321 2.375437 1.139675
C 3.313572 0.447906 -0.357853
C 4.597196 2.147207 1.492427
C 4.662171 0.221328 -0.007419
C -1.254949 -3.772130 0.527920
C 0.678187 -3.327751 -0.911078
C 5.308654 1.061453 0.928265
C -0.983251 -5.153832 0.467537
C 0.946548 -4.712472 -0.974123
C 0.121797 -5.627737 -0.279562
H -4.491167 3.412506 1.679578
H -5.324925 1.844005 1.805298
H -4.479350 1.174977 -0.464183
H -5.322152 2.745943 -0.587304
H -3.100407 1.850358 3.060401
H -3.130281 0.628047 1.751466
H -3.098311 2.715894 -1.841620
H -3.139890 3.960064 -0.540619
H -1.805274 3.413588 1.621250
H -0.972092 1.830174 1.677522
H 0.878577 2.857887 -0.164634
H 1.240316 -0.871776 -0.218993
H 2.706602 3.218255 1.582258
H 2.864733 -0.158006 -1.155942
H 5.093647 2.815961 2.204551
H 5.214581 -0.599183 -0.479248
H -2.113551 -3.384443 1.085881
H 1.295010 -2.635549 -1.496655
H 6.354886 0.884541 1.200163
H -1.630375 -5.861186 0.997297
H 1.787209 -5.078032 -1.573766
H 0.331516 -6.701921 -0.329948


