%chk=000059992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059992

0 1
 O   -1.311900      -1.696900     -0.1996000    
 O  -0.6117000      -1.043800       1.877200    
 O    5.176200      0.9008000     -0.7129000    
 N   -5.270100     -0.4308000     -0.6986000    
 N   0.7430000     -0.8120000     -1.7800000E-02
 C   -2.683500      -1.512100      0.1262000    
 C   -3.005200     -2.2299999E-02  0.2043000    
 C   -3.542400      -2.182200     -0.9416000    
 C   -4.505000      0.2135000      0.3787000    
 C   -5.025800      -1.880000     -0.7326000    
 C   -6.698800     -0.1564000     -0.5461000    
 C   -6.952800       1.350000     -0.5461000    
 C   -8.444000       1.659100     -0.4091000    
 C  -0.3977000      -1.164100      0.6772000    
 C   -8.701900       3.157000     -0.3725000    
 C    1.927400     -0.2314000      0.4903000    
 C    2.972100      4.8700001E-02 -0.3761000    
 C    2.021600      4.4599999E-02   1.845100    
 C    7.469400      0.4624000      -1.265200    
 C    4.141700      0.6202000      0.1256000    
 C    6.491600      0.8444000     -0.1630000    
 C    8.899700      0.3678000     -0.7416000    
 C    3.190900      0.6159000       2.346700    
 C    4.250900      0.9037000       1.487000    
 C    9.866600     -5.5900000E-02  -1.835600    
 H   -2.889500      -1.994000       1.091100    
 H   -2.474900      0.4564000       1.035000    
 H   -2.648500      0.4816000     -0.7046000    
 H   -3.226600      -1.845400      -1.938200    
 H   -3.372500      -3.265600     -0.9277000    
 H   -4.608600       1.301200      0.3658000    
 H   -4.827600     -0.1456000       1.364600    
 H   -5.371200      -2.357000      0.1941000    
 H   -5.586000      -2.331800      -1.560200    
 H   -7.249200     -0.6054000      -1.382300    
 H   -7.090100     -0.6004000      0.3788000    
 H   -6.562600       1.802500      -1.466200    
 H   -6.472900       1.847200      0.3017000    
 H   -8.837600       1.205300      0.5081000    
 H   -8.993200       1.219900      -1.250000    
 H   -8.198000       3.622500      0.4805000    
 H   -9.774700       3.354400     -0.2814000    
 H   -8.344600       3.639000      -1.288200    
 H   0.7316000     -0.9915000      -1.018900    
 H    2.891800     -0.1710000      -1.437700    
 H    7.162400     -0.4948000      -1.705100    
 H    7.409300       1.197800      -2.077200    
 H    1.244500     -0.1476000       2.570500    
 H    6.750200       1.827900      0.2463000    
 H    6.564300      8.7700002E-02  0.6290000    
 H    9.213200       1.337500     -0.3379000    
 H    8.949800     -0.3570000      7.9400003E-02
 H    3.274400      0.8430000       3.405700    
 H    5.132000       1.373700       1.913800    
 H    9.864800      0.6635000      -2.660700    
 H    9.599700      -1.039200      -2.236100    
 H    10.88500     -0.1157000      -1.439100    


%chk=000059992-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059992

0 1
O -1.296588 -0.745452 -0.316265
O -0.604570 -0.407058 1.916609
O 5.630093 -0.058441 -0.572752
N -5.512537 -0.151605 -0.516928
N 0.905107 -0.480790 0.084228
C -2.723695 -0.769432 0.128328
C -3.273770 0.661536 0.237879
C -3.498159 -1.575306 -0.919351
C -4.790397 0.621777 0.525198
C -5.004866 -1.545761 -0.584282
C -6.988765 -0.115029 -0.349161
C -7.609224 1.272624 -0.610096
C -9.155169 1.234091 -0.593576
C -0.338601 -0.526768 0.693833
C -9.787950 2.621839 -0.833004
C 2.173972 -0.285035 0.695098
C 3.300730 -0.259286 -0.160094
C 2.337137 -0.118306 2.098210
C 7.920980 0.129208 -1.315135
C 4.594287 -0.067496 0.374850
C 7.007813 0.146175 -0.087469
C 9.406845 0.340278 -0.941158
C 3.636969 0.070164 2.606717
C 4.776635 0.099352 1.770830
C 10.329323 0.328201 -2.179169
H -2.758583 -1.262027 1.119815
H -2.753635 1.208168 1.044830
H -3.098734 1.187596 -0.718730
H -3.336945 -1.125667 -1.916147
H -3.135121 -2.619116 -0.946175
H -5.179829 1.653812 0.543463
H -4.966403 0.183694 1.544931
H -5.178686 -2.092029 0.382209
H -5.566866 -2.085366 -1.368600
H -7.419036 -0.830606 -1.077795
H -7.295031 -0.472043 0.670564
H -7.250646 1.638711 -1.592047
H -7.265611 2.002962 0.149300
H -9.503409 0.831411 0.379808
H -9.511870 0.525902 -1.369336
H -9.476860 3.339541 -0.050501
H -10.892201 2.570258 -0.824402
H -9.475452 3.035660 -1.810163
H 0.885664 -0.599842 -0.930943
H 3.199616 -0.383553 -1.244234
H 7.798103 -0.837004 -1.841088
H 7.592825 0.920627 -2.016038
H 1.465402 -0.137672 2.753748
H 7.075378 1.118588 0.444294
H 7.277630 -0.664832 0.621370
H 9.520895 1.304468 -0.404777
H 9.727627 -0.451684 -0.233929
H 3.768295 0.198143 3.687152
H 5.769386 0.247952 2.203472
H 10.051120 1.130801 -2.887525
H 10.255473 -0.635095 -2.717514
H 11.386905 0.478061 -1.895553


