%chk=000047871.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047871

0 1
 O  -0.9826000       1.839400      0.7816000    
 O   -3.796700      -1.410200     -0.8869000    
 O   -3.243200       1.952800      0.4372000    
 O   -2.829100      9.7000003E-03  -2.393600    
 N    2.368400      0.5494000     -0.1533000    
 N    4.995800     -0.6013000      0.2087000    
 C   -2.013300     -8.5500002E-02 -0.1047000    
 C  -0.5338000     -8.4100001E-02 -0.4540000    
 C   4.1200001E-02  0.8548000      0.5856000    
 C   -2.378700      -1.102900      0.9652000    
 C    1.324300       1.529500      0.1386000    
 C   -3.724200      -1.648500      0.5245000    
 C   -2.192400       1.332800      0.3846000    
 C   -2.890100     -0.4627000      -1.268200    
 C    2.699900     -0.2318000       1.044400    
 C    3.568500       1.208200     -0.6835000    
 C    3.795500      -1.259200      0.7393000    
 C    4.664900      0.1816000     -0.9881000    
 C   -4.913000     -0.9897000       1.207300    
 C    6.038700      -1.582400     -8.4700003E-02
 H  -0.3829000      0.3187000      -1.464400    
 H  -7.1300000E-02  -1.076200     -0.4311000    
 H   0.1572000      0.3600000       1.555800    
 H   -2.402600     -0.6979000       1.982900    
 H   -1.656500      -1.929200      0.9681000    
 H    1.646600       2.247300      0.9054000    
 H    1.113200       2.132100     -0.7553000    
 H   -3.768500      -2.730100      0.6938000    
 H    1.842200     -0.8105000       1.400000    
 H    3.022800      0.4224000       1.865500    
 H    3.949900       1.956500      2.4599999E-02
 H    3.322600       1.734500      -1.613800    
 H    4.043200      -1.786200       1.668800    
 H    3.413500      -2.007300      3.1199999E-02
 H    4.338900     -0.4739000      -1.807200    
 H    5.554500      0.7205000      -1.336000    
 H   -5.847300      -1.425400      0.8366000    
 H   -4.872900      -1.126900       2.292000    
 H   -4.966100      8.0499999E-02  0.9888000    
 H    6.314300      -2.132900      0.8216000    
 H    6.947800      -1.082900     -0.4375000    
 H    5.725500      -2.306100     -0.8459000    


%chk=000047871-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047871

0 1
O -0.955309 1.621225 1.196255
O -3.979198 -0.984786 -1.198251
O -3.246109 1.833741 0.943537
O -2.481034 0.340082 -2.370104
N 2.467398 0.448458 0.122561
N 5.215337 -0.464481 -0.030490
C -2.054468 -0.193235 0.035725
C -0.528337 -0.314361 -0.187934
C 0.109706 0.607288 0.875899
C -2.748456 -1.314341 0.866473
C 1.351113 1.380317 0.406799
C -4.145903 -1.512064 0.205249
C -2.206593 1.186507 0.740864
C -2.825247 -0.208310 -1.311573
C 3.225430 0.067254 1.344066
C 3.395844 0.964250 -0.918844
C 4.296311 -0.983502 1.007127
C 4.462184 -0.091576 -1.250869
C -5.311375 -0.780461 0.874842
C 6.330657 -1.388126 -0.311706
H -0.283823 0.063559 -1.196884
H -0.161436 -1.348812 -0.109910
H 0.308222 0.067721 1.820946
H -2.849939 -1.062974 1.934990
H -2.155078 -2.241956 0.783826
H 1.616674 2.148472 1.171402
H 1.086201 1.920646 -0.520609
H -4.379118 -2.581915 0.069683
H 2.528421 -0.351541 2.093466
H 3.725353 0.958475 1.798935
H 3.909701 1.898348 -0.582567
H 2.812953 1.196738 -1.828806
H 4.881491 -1.214310 1.917101
H 3.787326 -1.925422 0.674826
H 3.958463 -0.980202 -1.711599
H 5.169945 0.323128 -1.992743
H -6.222731 -0.878928 0.261040
H -5.512702 -1.226152 1.866952
H -5.082518 0.290480 1.003915
H 6.897171 -1.580761 0.617149
H 7.020002 -0.927389 -1.041717
H 5.997673 -2.374188 -0.725122


