%chk=000089335.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089335

0 1
 O   -1.474600     -0.4641000     -5.2800000E-02
 O   -2.697100       1.443200      0.3664000    
 N  -0.3927000      0.3669000      0.2650000    
 N    2.794900       1.825500      -1.538100    
 N   -3.707800     -0.5462000     -0.2609000    
 C    2.069900      0.2433000      0.4378000    
 C    2.906500      -1.050000      0.4524000    
 C    2.189800      -1.999100     -0.5080000    
 C   0.7102000      -1.774200     -0.2307000    
 C   0.6936000     -0.3240000      0.1657000    
 C    2.140100      0.9766000       1.772100    
 C    2.475500       1.128400     -0.6673000    
 C   -2.631500      0.2593000      4.9500000E-02
 C   -5.076900     -8.5500002E-02 -0.2512000    
 H    2.911800      -1.499000       1.454400    
 H    3.949100     -0.8926000      0.1546000    
 H    2.482500      -3.041700     -0.3526000    
 H    2.425700      -1.734700      -1.546100    
 H   0.3662000      -2.381600      0.6124000    
 H   0.1078000      -1.980900      -1.118500    
 H    3.169700       1.265800       2.012300    
 H    1.535300       1.891300       1.759300    
 H    1.763400      0.3529000       2.591000    
 H   -3.527600      -1.512300     -0.5163000    
 H   -5.463400     -0.1449000      -1.271600    
 H   -5.149800      0.9418000      0.1131000    
 H   -5.656100     -0.7505000      0.3939000    


%chk=000089335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089335

0 1
O -1.555425 -0.461220 -0.101611
O -2.863169 1.160066 1.094870
N -0.361816 0.319134 0.292607
N 2.995646 1.514939 -1.738662
N -3.800095 -0.419222 -0.380140
C 2.088103 0.209798 0.419648
C 2.946731 -1.088962 0.614354
C 2.383482 -2.087185 -0.429679
C 0.850097 -1.831723 -0.417207
C 0.704673 -0.401822 0.076499
C 2.069303 1.158189 1.644190
C 2.582649 0.938255 -0.778447
C -2.779308 0.217031 0.288150
C -5.204459 -0.052708 -0.174172
H 2.769958 -1.459207 1.642280
H 4.025727 -0.894747 0.497957
H 2.638181 -3.133000 -0.189576
H 2.799057 -1.861041 -1.428397
H 0.321551 -2.506391 0.284538
H 0.368933 -1.969644 -1.401719
H 3.084806 1.534647 1.856169
H 1.396545 2.011838 1.465536
H 1.696907 0.609881 2.526560
H -3.549712 -1.152708 -1.043396
H -5.661662 0.321887 -1.108451
H -5.239084 0.750179 0.579025
H -5.793120 -0.912565 0.194872


