%chk=000090305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090305

0 1
 O   -1.430700      0.4731000      0.8955000    
 O    1.724300      -1.792600     -0.3435000    
 O    4.230000     -0.6264000     -0.3931000    
 O  -0.9158000      -1.238300     -0.5555000    
 N   -4.995600      0.1814000      5.2000000E-03
 C   -3.614300      0.6573000     -6.3299999E-02
 C   -2.764800     -4.3000001E-03   1.010000    
 C   0.7502000      0.3580000      4.5400001E-02
 C   -5.043800      -1.271700     -0.1517000    
 C   -5.812200      0.8335000      -1.017700    
 C    1.852500     -0.4465000     -0.1634000    
 C  -0.6083000     -0.2400000      7.7200003E-02
 C    3.119400      0.1362000     -0.1898000    
 C   0.8632000       1.722500      0.2293000    
 C    3.258400       1.512100     -6.6000000E-03
 C    2.130300       2.305200      0.2029000    
 C    1.771100      -2.608300      0.8246000    
 C    5.486200      4.8599999E-02 -0.4055000    
 H   -3.580300       1.744200      8.7300003E-02
 H   -3.177500      0.4763000      -1.054600    
 H   -2.759600      -1.097600      0.9767000    
 H   -3.126000      0.2786000       2.005600    
 H   -4.695000      -1.792200      0.7452000    
 H   -4.474800      -1.620600      -1.021200    
 H   -6.080500      -1.606800     -0.2808000    
 H   -6.859900      0.5245000     -0.9302000    
 H   -5.467700      0.6024000      -2.032300    
 H   -5.796500       1.921400     -0.8874000    
 H   2.0000001E-03   2.366700      0.3788000    
 H    4.209200       2.033500     -1.5300000E-02
 H    2.237200       3.377200      0.3421000    
 H   0.9876000      -2.322300       1.533300    
 H    2.752700      -2.535100       1.303300    
 H    1.606500      -3.646500      0.5236000    
 H    5.706400      0.5097000      0.5634000    
 H    5.552300      0.7636000      -1.232600    
 H    6.257300     -0.7093000     -0.5788000    


%chk=000090305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090305

0 1
O -1.544041 1.209538 0.630455
O 1.411994 -1.413277 -0.560625
O 4.056823 -0.681048 -0.514772
O -0.964906 -1.022515 0.994815
N -5.010207 0.018741 -0.319360
C -3.597680 0.416049 -0.519305
C -2.976830 0.845914 0.823798
C 0.777736 0.654799 0.566277
C -5.157225 -1.367463 0.173758
C -5.867228 0.281676 -1.492169
C 1.778077 -0.206411 0.041138
C -0.620648 0.156098 0.735749
C 3.137225 0.240447 0.005906
C 1.119697 1.968141 0.990897
C 3.470846 1.536637 0.459842
C 2.456380 2.398261 0.940944
C 1.792249 -2.654063 0.147705
C 5.446320 -0.239805 -0.660353
H -3.561852 1.274316 -1.214138
H -2.981183 -0.400182 -0.965368
H -3.042948 0.038901 1.573533
H -3.454788 1.762306 1.200925
H -4.529305 -1.527333 1.066387
H -4.863850 -2.133041 -0.587937
H -6.208813 -1.549605 0.459707
H -6.920274 0.066132 -1.234410
H -5.602127 -0.335535 -2.387838
H -5.798615 1.346642 -1.776272
H 0.329363 2.623437 1.365040
H 4.506938 1.887071 0.429162
H 2.720816 3.405398 1.279354
H 1.236385 -2.716475 1.100410
H 2.883509 -2.690213 0.314148
H 1.482549 -3.471175 -0.520757
H 5.901224 -0.003942 0.321546
H 5.518225 0.641944 -1.325980
H 5.969664 -1.092865 -1.116110


