%chk=000112363.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112363

0 1
 O   -2.905400     -0.5758000     -0.3864000    
 O   -5.283600      0.7515000      0.2803000    
 O   -1.762900      -2.439500      0.2859000    
 N    3.995600      0.8894000     -0.4596000    
 N  -0.6576000     -0.4542000     -0.2952000    
 C    3.013800     -8.9000002E-02 -0.1991000    
 C    3.612600       2.207500     -0.9257000    
 C    5.401100      0.5855000     -0.2782000    
 C    1.663600      0.2124000     -0.3766000    
 C    3.393700      -1.358700      0.2362000    
 C   0.6932000     -0.7557000     -0.1185000    
 C    3.362300       3.126400      0.2545000    
 C    5.775600      0.7014000       1.186800    
 C    2.423300      -2.326900      0.4941000    
 C    1.073000      -2.025400      0.3168000    
 C   -4.137800      -1.288300     -0.2270000    
 C   -1.764700      -1.274400     -9.2600003E-02
 C   -5.289800     -0.3721000     -0.5920000    
 C   -6.332400       1.658000     -3.1099999E-02
 C   -6.273700       2.828000      0.9276000    
 H    4.431100       2.641300      -1.515300    
 H    2.771900       2.200200      -1.626800    
 H    5.677800     -0.3899000     -0.6940000    
 H    6.017600       1.300600     -0.8380000    
 H    1.313600       1.188900     -0.6931000    
 H    4.423900      -1.658100      0.3927000    
 H    3.009200       4.100300     -0.1002000    
 H    4.275600       3.303100      0.8290000    
 H    2.607200       2.724100      0.9369000    
 H    5.660900       1.725700       1.551900    
 H    6.826700      0.4256000       1.322800    
 H    5.177700      5.4699998E-02   1.835000    
 H    2.719400      -3.315600      0.8328000    
 H   0.3794000      -2.825100      0.5362000    
 H  -0.8642000      0.4893000     -0.6142000    
 H   -4.228100      -1.599000      0.8203000    
 H   -4.139700      -2.169300     -0.8780000    
 H   -6.239300     -0.9104000     -0.4986000    
 H   -5.169900     -2.1700000E-02  -1.623800    
 H   -7.299800       1.152000      6.3000001E-02
 H   -6.218100       2.018600      -1.059600    
 H   -6.374600       2.484100       1.962300    
 H   -5.307400       3.338000      0.8548000    
 H   -7.069300       3.547600      0.7157000    


%chk=000112363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112363

0 1
O -2.871457 -0.559954 -0.449946
O -5.416394 0.777497 0.334856
O -1.812959 -2.524944 0.310894
N 4.049495 0.845151 -0.512931
N -0.623562 -0.552675 -0.283309
C 3.098000 -0.139792 -0.191809
C 3.631373 2.186694 -0.961394
C 5.488773 0.606669 -0.287598
C 1.700155 0.099958 -0.356084
C 3.490201 -1.431340 0.290277
C 0.741965 -0.905966 -0.078230
C 3.167317 3.136546 0.172465
C 5.953614 0.779529 1.180441
C 2.520039 -2.414304 0.559051
C 1.138820 -2.185253 0.384020
C -4.178688 -1.222056 -0.232108
C -1.745609 -1.337722 -0.094258
C -5.263295 -0.260249 -0.684494
C -6.391968 1.806551 -0.052931
C -6.468980 2.817782 1.090110
H 4.487971 2.645120 -1.489492
H 2.826623 2.085309 -1.716496
H 5.751255 -0.407757 -0.645063
H 6.047849 1.311958 -0.930453
H 1.343589 1.075268 -0.703537
H 4.543374 -1.671496 0.455496
H 2.815378 4.097184 -0.248719
H 3.993850 3.350724 0.872600
H 2.341720 2.689230 0.752501
H 5.793960 1.815784 1.526794
H 7.031394 0.547357 1.272790
H 5.396485 0.106464 1.854843
H 2.851018 -3.394162 0.922781
H 0.393763 -2.951112 0.601940
H -0.820398 0.398195 -0.602733
H -4.292934 -1.466249 0.838790
H -4.207648 -2.160356 -0.816224
H -6.217387 -0.823096 -0.805823
H -4.993747 0.184333 -1.667714
H -7.385355 1.337140 -0.237489
H -6.065490 2.296427 -0.997990
H -6.794810 2.323274 2.021273
H -5.478753 3.270889 1.268621
H -7.187048 3.622547 0.848280


