%chk=000052311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052311

0 1
 O   0.8966000      -2.300700      0.7578000    
 O    2.221900      0.8002000     -0.6558000    
 N    3.370700       1.601000     -0.2621000    
 C   0.9297000      -1.172000     -0.1244000    
 C  -0.3734000     -0.4491000     -5.7100002E-02
 C    2.131900     -0.2913000      0.2488000    
 C   -1.420600     -0.8186000     -0.9012000    
 C  -0.5446000      0.5967000      0.8500000    
 C   -2.638900     -0.1424000     -0.8382000    
 C   -1.763000       1.272800      0.9131000    
 C   -2.810300      0.9033000      6.9100000E-02
 H    1.084700      -1.548100      -1.143200    
 H    2.103400      4.6799999E-02   1.292000    
 H    3.040500     -0.9035000      0.1608000    
 H   -1.300900      -1.633000      -1.610900    
 H   0.2289000      0.9072000       1.543100    
 H   -3.454600     -0.4306000      -1.494800    
 H   -1.898900       2.083600       1.623000    
 H   -3.759400       1.428700      0.1192000    
 H   0.6708000      -1.980600       1.648200    
 H    2.932400       2.514400     -0.1547000    
 H    3.888100       1.627900      -1.139400    


%chk=000052311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052311

0 1
O 0.932311 -2.378864 -0.277487
O 2.444144 1.004154 -0.315610
N 3.741713 1.471667 0.278516
C 0.941709 -0.915625 -0.512368
C -0.427808 -0.295537 -0.220172
C 2.129590 -0.316329 0.273576
C -1.598143 -1.076022 -0.414833
C -0.564276 1.046318 0.219547
C -2.876734 -0.529536 -0.166011
C -1.844255 1.590888 0.468707
C -3.004998 0.806422 0.279697
H 1.174680 -0.834628 -1.590149
H 1.896166 -0.203573 1.352772
H 3.001143 -0.984820 0.157933
H -1.496068 -2.107214 -0.770226
H 0.332587 1.662442 0.343368
H -3.770786 -1.144141 -0.322015
H -1.935514 2.629434 0.807382
H -3.996455 1.231184 0.473549
H 0.585407 -2.545303 0.637381
H 3.513996 2.397152 0.684933
H 4.356592 1.604631 -0.545189


