%chk=000076887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076887

0 1
 O    2.062800      0.1016000     -0.3668000    
 O   -2.339400      0.1822000      -1.190700    
 O   0.8739000       2.007100      6.2700003E-02
 N  -2.2299999E-02 -0.1208000      0.4192000    
 C   0.4846000      -1.459000      0.3815000    
 C   -1.321500      0.1911000      0.9737000    
 C    1.746200      -1.298800     -0.4299000    
 C   0.9439000      0.7861000      4.2399999E-02
 C   -2.428200     -0.3894000      0.1078000    
 H  -0.2139000      -2.161900     -7.7900000E-02
 H   0.7034000      -1.773900       1.407000    
 H   -1.422100       1.280500       1.027400    
 H   -1.368600     -0.2113000       1.990700    
 H    2.575900      -1.888100     -2.8999999E-02
 H    1.595700      -1.565600      -1.481300    
 H   -3.406900     -0.1331000      0.5245000    
 H   -2.373000      -1.478100      1.9099999E-02
 H   -1.472900     -6.2100001E-02  -1.558300    


%chk=000076887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076887

0 1
O 2.164909 0.111493 -0.283968
O -2.591794 0.133694 -1.230307
O 0.875863 2.033575 0.131554
N -0.038237 -0.162339 0.283106
C 0.518875 -1.527413 0.356561
C -1.320158 0.203592 0.908126
C 1.860117 -1.342465 -0.399212
C 0.964367 0.795820 0.058967
C -2.513362 -0.386135 0.133665
H -0.130955 -2.269727 -0.137335
H 0.668255 -1.834968 1.412585
H -1.371763 1.306654 0.897332
H -1.347164 -0.140845 1.964294
H 2.698776 -1.896240 0.047289
H 1.768114 -1.586819 -1.471962
H -3.455083 -0.089090 0.624585
H -2.461223 -1.497856 0.130203
H -1.671938 0.155570 -1.603384


