%chk=000058800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058800

0 1
 O    3.415700       1.199800     -0.7082000    
 O  -0.1614000      0.8314000     -0.5259000    
 O    1.210300       1.969800      -1.986700    
 N   -4.616700     -0.4977000      0.9034000    
 C    2.096400       1.477200       1.254800    
 C    2.611800       2.857700       1.342900    
 C    3.355700       1.723500       1.984900    
 C    2.191500      0.7706000     -0.1041000    
 C    2.227500     -0.7515000     -6.6699997E-02
 C    1.053100       1.270200     -0.9934000    
 C    1.789200      -1.455500      -1.169000    
 C    2.697000      -1.378900       1.068500    
 C   -1.297900       1.234100      -1.268400    
 C   -2.538500      0.6803000     -0.6375000    
 C   -2.636100     -0.8203000     -0.5287000    
 C   -4.048600      -1.310900     -0.1771000    
 C    1.821900      -2.849600      -1.134600    
 C    2.729800      -2.772900       1.103000    
 C   -4.760500      0.9046000      0.4785000    
 C   -3.532200       1.463000     -0.1851000    
 C    2.292100      -3.508200      1.3000000E-03
 C   -5.900300      -1.036600       1.348100    
 H    1.210900       1.223300       1.823700    
 H    2.092300       3.548900       1.997100    
 H    3.057700       3.336900      0.4810000    
 H    4.311900       1.443400       1.562000    
 H    3.331900       1.660400       3.067200    
 H    3.585600      0.6564000      -1.496600    
 H    1.439700     -0.9744000      -2.076700    
 H    3.049900     -0.8472000       1.943100    
 H   -1.334300       2.329700      -1.306800    
 H   -1.218800      0.8587000      -2.296100    
 H   -2.335100      -1.282600      -1.476300    
 H   -1.930600      -1.162100      0.2393000    
 H   -4.689100      -1.276500      -1.068900    
 H   -3.978500      -2.361800      0.1298000    
 H    1.486100      -3.422400      -1.994200    
 H    3.097200      -3.286500       1.986800    
 H   -4.973600       1.515800       1.363800    
 H   -5.603300       1.024700     -0.2147000    
 H   -3.471200       2.542600     -0.2879000    
 H    2.319000      -4.593700      2.7500000E-02
 H   -6.644100      -1.053500      0.5435000    
 H   -6.300900     -0.4417000       2.176400    
 H   -5.777900      -2.058100       1.725200    


%chk=000058800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058800

0 1
O 3.010271 0.746346 -1.509341
O -0.146877 1.641046 0.076932
O 0.516926 1.447813 -2.152363
N -4.289278 -1.111247 0.489516
C 2.639539 1.596884 0.744697
C 3.395912 2.890386 0.428715
C 4.151702 1.660262 0.963741
C 2.074584 0.724256 -0.386819
C 1.841480 -0.730181 0.098007
C 0.737697 1.308568 -0.920402
C 2.596880 -1.782074 -0.472220
C 0.913555 -1.022843 1.130757
C -1.522814 2.139188 -0.336675
C -2.547473 1.063859 -0.091661
C -2.453876 -0.210956 -0.913963
C -3.790450 -0.979035 -0.898620
C 2.425274 -3.110422 -0.020821
C 0.741183 -2.351566 1.577305
C -4.601186 0.197033 1.100830
C -3.539656 1.237437 0.822810
C 1.496488 -3.401248 1.004086
C -5.402671 -2.065808 0.624192
H 2.007350 1.597170 1.637350
H 3.244476 3.748162 1.090489
H 3.554981 3.133186 -0.625448
H 4.779072 1.126652 0.245480
H 4.520897 1.671798 1.993238
H 2.468640 0.879727 -2.337352
H 3.317016 -1.540273 -1.258879
H 0.314604 -0.220422 1.574351
H -1.684451 3.026177 0.295802
H -1.451890 2.422717 -1.402691
H -2.165971 0.029198 -1.956822
H -1.654519 -0.858793 -0.504123
H -4.531201 -0.452260 -1.556052
H -3.646965 -1.993726 -1.312816
H 3.018284 -3.916189 -0.468670
H 0.014626 -2.566008 2.369098
H -4.700930 0.059294 2.196999
H -5.593013 0.598809 0.749642
H -3.606402 2.169132 1.401547
H 1.361477 -4.431816 1.351711
H -6.324974 -1.757347 0.067707
H -5.672559 -2.176044 1.690539
H -5.091156 -3.056443 0.248397


