%chk=000060548.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060548

0 1
 O    3.603300     -0.5513000     -0.5691000    
 O   -1.411200     -0.9255000       1.567600    
 O    6.126000      -1.581000      7.1099997E-02
 N   -5.567800      -1.267600     -0.3932000    
 N   -1.884900     -0.8046000     -0.6991000    
 N    2.562500       1.492600     -0.2209000    
 C   -4.303300     -0.5438000     -0.4167000    
 C   -3.147000      -1.506400     -0.6442000    
 C   -5.566200      -2.275700      0.6688000    
 C   -6.688700     -0.3428000     -0.2124000    
 C   -6.853300      -3.083000      0.6614000    
 C   -6.710600      0.7134000      -1.304300    
 C   0.1442000      0.1856000      0.2093000    
 C   -1.092800     -0.5588000      0.4255000    
 C   0.2078000       1.583500      0.2833000    
 C    1.454200       2.204500      5.8200002E-02
 C    1.284500     -0.5507000     -7.8100003E-02
 C    2.458600      0.1453000     -0.2831000    
 C  -0.9288000       2.357600      0.5724000    
 C    1.516800       3.593300      0.1319000    
 C  -0.8376000       3.744900      0.6399000    
 C   0.3869000       4.363100      0.4192000    
 C    4.785000      0.2144000     -0.7713000    
 C    5.942000     -0.7255000      -1.050400    
 C    7.186900      -2.501000     -0.1446000    
 C    7.333200      -3.380500       1.078900    
 H   -4.146800      2.2900000E-02  0.5112000    
 H   -4.265800      0.1764000      -1.241400    
 H   -3.260200      -2.037700      -1.595800    
 H   -3.035700      -2.245700      0.1516000    
 H   -4.785000      -3.023000      0.5102000    
 H   -5.408100      -1.831500       1.659500    
 H   -6.663500      0.1446000      0.7703000    
 H   -7.642900     -0.8732000     -0.2951000    
 H   -1.571500     -0.4635000      -1.603500    
 H   -6.736000      -3.967400       1.298000    
 H   -7.105600      -3.437200     -0.3441000    
 H   -7.701700      -2.521700       1.064700    
 H   -7.675400       1.233200      -1.290100    
 H   -6.594400      0.2729000      -2.300500    
 H   -5.944300       1.481500      -1.160200    
 H    1.261100      -1.634000     -0.1405000    
 H   -1.900100       1.902700      0.7503000    
 H    2.464400       4.101600     -3.6899999E-02
 H   -1.717800       4.339900      0.8636000    
 H   0.4673000       5.445100      0.4700000    
 H    5.004800      0.7909000      0.1360000    
 H    4.656800      0.8927000      -1.623100    
 H    6.856100     -0.1496000      -1.232800    
 H    5.716300      -1.337800      -1.931300    
 H    8.120800      -1.955400     -0.3205000    
 H    6.967500      -3.122100      -1.020200    
 H    8.143600      -4.102900      0.9467000    
 H    7.541500      -2.774400       1.966800    
 H    6.403600      -3.924500       1.276100    


%chk=000060548-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060548

0 1
O 3.329465 -0.199883 -0.644978
O -2.025601 0.098574 1.927693
O 5.953575 -1.635721 -0.477771
N -5.480460 -1.360791 -0.537664
N -1.734758 -0.767550 -0.210737
N 2.634052 1.813853 0.377987
C -4.199368 -0.636052 -0.709659
C -3.014629 -1.496395 -0.197585
C -6.050306 -1.184785 0.828805
C -6.465250 -1.101631 -1.620993
C -6.940404 -2.364062 1.264579
C -6.109280 -1.815609 -2.938956
C 0.031082 0.651293 0.706596
C -1.320180 -0.011071 0.874139
C 0.280362 1.995440 1.189776
C 1.611742 2.536357 0.987674
C 1.072185 -0.056109 0.103935
C 2.354536 0.573951 -0.033509
C -0.706302 2.811787 1.829572
C 1.904046 3.865235 1.422901
C -0.392693 4.110662 2.243632
C 0.917624 4.641407 2.039046
C 4.681050 0.404155 -0.754973
C 5.575203 -0.608629 -1.448157
C 6.746585 -2.714761 -1.083734
C 7.084512 -3.712631 0.023106
H -4.190258 0.340376 -0.170500
H -4.047204 -0.414214 -1.782167
H -2.927735 -2.407299 -0.815108
H -3.208041 -1.802690 0.844286
H -5.207010 -1.092172 1.537733
H -6.625009 -0.227202 0.903565
H -6.593068 -0.004613 -1.806023
H -7.446339 -1.475454 -1.275712
H -1.186377 -0.737141 -1.071758
H -7.312617 -2.205964 2.294004
H -6.363872 -3.305006 1.236234
H -7.819834 -2.483981 0.605850
H -6.882125 -1.620568 -3.705948
H -6.040718 -2.904796 -2.772786
H -5.141248 -1.471413 -3.347680
H 0.961295 -1.091960 -0.227642
H -1.697932 2.391510 2.015645
H 2.917278 4.243077 1.255842
H -1.155226 4.723638 2.736176
H 1.149538 5.659765 2.370461
H 5.059022 0.643678 0.254422
H 4.606733 1.342868 -1.334268
H 6.484015 -0.088210 -1.829255
H 5.041470 -1.057711 -2.314603
H 7.672860 -2.294688 -1.538706
H 6.159178 -3.202477 -1.894188
H 7.674663 -4.554988 -0.381706
H 7.670550 -3.222859 0.819736
H 6.159926 -4.113741 0.472471


