%chk=000058879.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058879

0 1
 O    2.473300       1.735500      -1.310300    
 O  -0.5500000     -1.1000000E-02  -1.040100    
 O   0.9142000      0.1760000      -2.810100    
 N   -4.410300      0.3151000      0.4611000    
 C   0.9844000       1.607600      0.5338000    
 C   0.3169000       2.927500      9.4899997E-02
 C    1.948700       2.465500       1.379100    
 C   0.8430000       3.541400       1.409000    
 C    1.644100      0.8266000     -0.5829000    
 C    2.473400     -0.2925000      3.7900001E-02
 C   0.6584000      0.2980000      -1.618300    
 C   -2.809100     -0.7850000      -1.079900    
 C   -1.550600     -0.5028000      -1.908600    
 C   -3.342400      0.5543000     -0.5156000    
 C    1.824400      -1.304100      0.7129000    
 C    3.845000     -0.2554000     -9.6199997E-02
 C   -2.584800      -1.821100      1.0600000E-02
 C   -3.884900     -0.4176000       1.622900    
 C   -3.071600      -1.623700       1.248600    
 C    2.583200      -2.327600       1.280900    
 C    4.603600      -1.279100      0.4716000    
 C   -1.851900      -3.083100     -0.3424000    
 C   -5.029900       1.570700      0.8811000    
 C    3.972800      -2.315100       1.160100    
 H   0.3069000       1.016500       1.168400    
 H  -0.7727000       2.896100      5.4000001E-03
 H   0.7145000       3.435300     -0.7888000    
 H    2.864100       2.809400      0.8847000    
 H    2.218300       2.049300       2.354100    
 H   0.1504000       3.440000       2.252400    
 H    1.184700       4.577500       1.348400    
 H   -3.570600      -1.195700      -1.757900    
 H    1.922800       2.270700      -1.905400    
 H   -1.772200      0.2480000      -2.677300    
 H   -1.200000      -1.411000      -2.412700    
 H   -2.539300       1.143300     -5.3900000E-02
 H   -3.730200       1.146700      -1.354600    
 H   0.7461000      -1.330600      0.8252000    
 H    4.369400      0.5358000     -0.6212000    
 H   -4.731200     -0.7570000       2.232200    
 H   -3.262800      0.2294000       2.255300    
 H   -2.897200      -2.359300       2.029100    
 H   -2.310900      -3.555200      -1.217100    
 H  -0.8011000      -2.877700     -0.5656000    
 H   -1.876300      -3.813500      0.4736000    
 H    2.092000      -3.133500       1.818400    
 H    5.685800      -1.269200      0.3788000    
 H   -4.311900       2.249400       1.355700    
 H   -5.844200       1.379500       1.588800    
 H   -5.474300       2.085700      2.2299999E-02
 H    4.563500      -3.111700       1.602800    


%chk=000058879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058879

0 1
O 2.810834 1.606106 -1.405697
O -0.556610 0.247097 -1.034258
O 0.810583 0.622719 -2.876387
N -4.454226 -0.077932 0.702778
C 1.204691 2.048315 0.382953
C 0.726571 3.434648 -0.169496
C 2.261051 2.796565 1.266161
C 1.436303 4.115221 1.053383
C 1.738465 0.993977 -0.621208
C 2.262991 -0.258985 0.123787
C 0.630648 0.600372 -1.630848
C -2.827825 -0.680331 -1.076851
C -1.675737 -0.162175 -1.946794
C -3.407538 0.452180 -0.195373
C 1.398215 -1.075265 0.898512
C 3.643314 -0.567687 0.073319
C -2.462988 -1.908074 -0.236732
C -3.902406 -1.048097 1.672902
C -2.962795 -2.039251 1.020927
C 1.911629 -2.185982 1.603733
C 4.154019 -1.679571 0.780925
C -1.581722 -2.970660 -0.864894
C -5.241813 0.979638 1.360550
C 3.291045 -2.494080 1.548521
H 0.423895 1.576005 1.004331
H -0.359858 3.588410 -0.283773
H 1.239876 3.676465 -1.116132
H 3.235420 2.842467 0.752364
H 2.402424 2.436402 2.297856
H 0.735300 4.305687 1.885592
H 2.008575 5.034697 0.849902
H -3.621821 -0.984103 -1.795016
H 2.635538 1.389547 -2.364381
H -1.976288 0.728074 -2.529637
H -1.287920 -0.922997 -2.645555
H -2.573057 0.937507 0.372706
H -3.864612 1.226403 -0.840959
H 0.325811 -0.856550 0.943360
H 4.299043 0.076643 -0.518942
H -4.747476 -1.592905 2.140385
H -3.361946 -0.530944 2.514092
H -2.701687 -2.922484 1.619659
H -1.996340 -3.317512 -1.832620
H -0.559613 -2.594628 -1.064279
H -1.488962 -3.850091 -0.204462
H 1.232675 -2.810832 2.195573
H 5.225239 -1.906893 0.733855
H -4.633745 1.631257 2.039295
H -6.047104 0.521841 1.963398
H -5.713339 1.624735 0.597954
H 3.686771 -3.356646 2.096728


