%chk=000059450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059450

1 1
 O    3.592700       1.867800      -1.515000    
 O    5.596900      0.1342000     -0.6755000    
 N   -1.736300     -0.7971000      0.6821000    
 N   -3.033500       2.652700      0.1054000    
 N  -0.1535000      -2.269400      0.5841000    
 C   -2.442600      0.4388000      0.9662000    
 C  -0.4582000      -1.034300      0.9954000    
 C   -2.304700       1.425700     -0.1867000    
 C   -2.276800      -1.899800      5.2900001E-02
 C   -1.254900      -2.850200     -1.0300000E-02
 C   0.4745000     -0.1047000       1.680600    
 C   -2.554300       3.254300       1.351700    
 C   -2.904900       3.605700     -0.9991000    
 C   -3.549200      -2.135900     -0.4541000    
 C    1.841000     -3.8300000E-02   1.049200    
 C   -1.434200      -4.103000     -0.5850000    
 C   -3.745500      -3.395900      -1.037100    
 C   -2.713200      -4.355900      -1.101200    
 C   -3.352100       4.498600       1.702900    
 C   -3.396500       3.003000      -2.304200    
 C    2.086400      0.8922000      5.0200000E-02
 C    2.832800     -0.9089000       1.477000    
 C    3.351600      0.9538000     -0.5341000    
 C    4.097800     -0.8475000      0.8925000    
 C    4.357300      8.3899997E-02 -0.1130000    
 C    2.511100       2.719700      -1.887300    
 C    6.568000     -0.7897000     -0.1878000    
 H   -2.050900      0.7964000       1.920300    
 H   -3.499500      0.2074000       1.148000    
 H   -2.707200      0.9229000      -1.072300    
 H   -1.244200       1.624400     -0.3855000    
 H   3.5300002E-02  0.8945000       1.705000    
 H   0.5327000     -0.4599000       2.715300    
 H   0.7507000      -2.720000      0.6943000    
 H   -1.484100       3.492900       1.310500    
 H   -2.716700       2.592200       2.205300    
 H   -1.871300       3.953800      -1.121200    
 H   -3.532800       4.485400     -0.8245000    
 H   -4.338200      -1.396400     -0.4066000    
 H  -0.6339000      -4.830400     -0.6278000    
 H   -4.720300      -3.641100      -1.453100    
 H   -2.916500      -5.318900      -1.564400    
 H   -3.087600       5.356000       1.076300    
 H   -4.431200       4.323800       1.631000    
 H   -3.138200       4.792800       2.736900    
 H   -3.511100       3.795600      -3.052500    
 H   -4.374000       2.522200      -2.188400    
 H   -2.689900       2.280700      -2.724500    
 H    1.265200       1.539900     -0.2354000    
 H    2.639200      -1.638300       2.258500    
 H    4.829200      -1.554100       1.269400    
 H    2.879800       3.381300      -2.678100    
 H    1.676900       2.151100      -2.312600    
 H    2.198100       3.361700      -1.056700    
 H    6.795300     -0.6159000      0.8695000    
 H    7.493000     -0.6092000     -0.7454000    
 H    6.274500      -1.826100     -0.3865000    


%chk=000059450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059450

1 1
O 5.074570 0.721851 -1.577885
O 6.247541 -0.873604 0.149756
N -1.566229 -0.326108 0.211128
N -3.635232 2.852991 0.398835
N 0.208966 -1.482670 -0.440189
C -2.420952 0.743706 0.783187
C -0.199703 -0.383488 0.260522
C -2.774694 1.855730 -0.248565
C -2.046588 -1.420302 -0.557428
C -0.904000 -2.165693 -0.970469
C 0.732589 0.558907 0.977503
C -2.892284 3.991166 1.011126
C -4.833744 3.252105 -0.390811
C -3.352788 -1.817231 -0.905284
C 2.197135 0.173781 0.794526
C -1.019103 -3.333603 -1.748578
C -3.470272 -2.987029 -1.683760
C -2.326360 -3.730078 -2.098111
C -3.610871 4.601584 2.228296
C -5.887474 2.134254 -0.496663
C 2.924792 0.653603 -0.331432
C 2.837167 -0.676678 1.719566
C 4.276351 0.294978 -0.525826
C 4.191040 -1.049134 1.534237
C 4.921982 -0.576824 0.422056
C 4.497818 1.665255 -2.543869
C 6.974052 -1.723404 1.106237
H -1.901932 1.185849 1.649816
H -3.352176 0.286554 1.154374
H -3.303535 1.395125 -1.102460
H -1.831871 2.293806 -0.655276
H 0.546845 1.588858 0.614522
H 0.468653 0.560616 2.053588
H 1.199243 -1.728977 -0.523919
H -2.685945 4.786446 0.254386
H -1.904680 3.610990 1.340489
H -4.548767 3.604895 -1.411790
H -5.291099 4.115236 0.122764
H -4.237742 -1.256943 -0.590333
H -0.145704 -3.909511 -2.066932
H -4.465057 -3.335192 -1.977392
H -2.467817 -4.631809 -2.701207
H -4.589451 5.034730 1.956605
H -3.782630 3.833482 3.002144
H -3.001407 5.413977 2.664005
H -6.771617 2.496054 -1.051653
H -6.212206 1.815372 0.508924
H -5.504875 1.248337 -1.039534
H 2.438797 1.332941 -1.040139
H 2.297993 -1.040304 2.601969
H 4.672739 -1.697704 2.270766
H 5.309975 1.871030 -3.254425
H 3.638658 1.216547 -3.079706
H 4.188124 2.604851 -2.047378
H 7.017691 -1.249278 2.104783
H 7.986552 -1.809562 0.689053
H 6.511531 -2.725979 1.180456


