%chk=000036458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036458

0 1
 O    2.722300       1.784800     -0.8843000    
 O  -0.9527000      -1.236500       1.637300    
 O   -1.049700       2.217700      -1.228800    
 O   -1.154000       2.005100       1.030900    
 N    2.230900      -2.581300     -0.9568000    
 N   -2.101300     -0.8622000     -0.3501000    
 N   -3.071000     -7.3200002E-02  0.2608000    
 N    4.639900       1.021500       1.109500    
 C    1.340600      -1.695400     -0.2030000    
 C    1.476200     -0.2323000     -0.6714000    
 C    2.854600      0.4199000     -0.4736000    
 C  -9.6199997E-02  -2.211300     -0.3842000    
 C    3.331900      0.3818000      0.9814000    
 C   -1.087100      -1.395000      0.4252000    
 C   -3.033800       1.279200     -0.2918000    
 C   -4.390500     -0.6733000      7.2400004E-02
 C   -1.660000       1.850500     -7.3399998E-02
 H    1.595400      -1.770200      0.8593000    
 H    1.191600     -0.1503000      -1.729600    
 H   0.7495000      0.3846000     -0.1331000    
 H    3.596900     -5.1399998E-02  -1.128100    
 H  -0.1794000      -3.249500     -3.8400002E-02
 H  -0.3727000      -2.206100      -1.446000    
 H    2.622000      0.9112000       1.626700    
 H    3.424600     -0.6466000       1.339900    
 H    3.199200      -2.295100     -0.8210000    
 H    2.046000      -2.488400      -1.955200    
 H   -2.167400      -1.017800      -1.351700    
 H    2.468300       1.785600      -1.823100    
 H    4.576800       1.991100      0.8015000    
 H    4.906800       1.049800       2.092700    
 H   -3.749400       1.940100      0.2106000    
 H   -3.270000       1.287000      -1.363700    
 H   -5.158600     -7.9499997E-02  0.5803000    
 H   -4.422000      -1.675900      0.5141000    
 H   -4.662100     -0.7576000     -0.9866000    
 H  -0.1623000       2.603700      -1.067600    


%chk=000036458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036458

0 1
O 2.227240 1.704825 -1.152096
O -0.521837 -1.469287 1.579962
O -0.272914 1.880051 -1.373889
O -0.345309 2.438618 0.882515
N 2.258428 -3.172139 -1.265337
N -1.776640 -0.778874 -0.280103
N -2.503497 0.223676 0.409152
N 2.470554 1.940908 1.269030
C 1.473207 -2.091100 -0.634266
C 1.598769 -0.681259 -1.313064
C 2.512107 0.344101 -0.612603
C -0.032946 -2.503874 -0.582125
C 2.304599 0.486620 0.950544
C -0.800308 -1.555878 0.350276
C -2.363291 1.564459 -0.218875
C -3.897009 -0.176679 0.706888
C -0.898282 2.020931 -0.175641
H 1.802408 -2.038861 0.419790
H 1.947497 -0.815454 -2.355401
H 0.596996 -0.224046 -1.381302
H 3.578317 0.130882 -0.826224
H -0.087763 -3.525412 -0.169025
H -0.455927 -2.519960 -1.607388
H 1.295092 0.154544 1.245593
H 3.037040 -0.128965 1.499926
H 3.252528 -3.174736 -1.019308
H 2.116468 -3.255504 -2.277885
H -1.949908 -0.917155 -1.288093
H 2.466995 2.254952 -0.245432
H 1.575380 2.365136 1.563455
H 3.251744 2.163822 1.891867
H -2.967905 2.264343 0.382389
H -2.721444 1.587309 -1.274265
H -4.346691 0.579771 1.372721
H -3.880086 -1.139980 1.240522
H -4.537333 -0.277439 -0.202628
H 0.827021 1.906353 -1.328579


